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Name	2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene	EINECS	N/A
CAS No.	172900-69-5	Density	1.173 g/cm³
PSA	27.69000	LogP	4.32010
Solubility	N/A	Melting Point	52-53 °C
Formula	C₁₇H₂₇BrO₃	Boiling Point	398.8 °C at 760 mmHg
Molecular Weight	359.304	Flash Point	164.4 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Benzene,4-[2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-, (R)-;	Article Data	6

2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene Synthetic route

: 172900-70-8
(R)-2-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutanol

: 172900-69-5
(R)-4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Conditions

Conditions	Yield
With N-Bromosuccinimide; triphenylphosphine In dichloromethane at 20℃; for 18h;	97%
With N-Bromosuccinimide; triphenylphosphine In dichloromethane	97%
With phosphorus(V) oxybromide In N,N-dimethyl-formamide at 20℃; for 8h; Temperature; Time; Solvent;	79.6%

: 621-59-0
isovanillin

: 172900-69-5
(R)-4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 98 percent / K2CO3 / acetonitrile 2: NaBH4 / ethanol 3: PBr3 / CH2Cl2 4: 76 percent / LiHMDS / tetrahydrofuran 5: 81 percent / LiOH; H2O2 6: 95 percent / LAH / tetrahydrofuran 7: 97 percent / PPh3; NBS / CH2Cl2 View Scheme
Multi-step reaction with 8 steps 1.1: 93 percent / K2CO3 / acetonitrile / 19 h / Heating 2.1: 72 percent / NaOMe / methanol / 1.5 h / Heating 3.1: 96 percent / NaBH4 / methanol / 1 h / 20 °C 4.1: 100 percent / Me3SiBr / 0.17 h / 20 °C 5.1: LiHMDS / tetrahydrofuran / 1.25 h / -70 °C 5.2: 86 percent / tetrahydrofuran / 18 h / 0 °C 6.1: 94 percent / H2O2; LiOH / tetrahydrofuran; H2O / 3 h / 20 °C 7.1: NaBH4 / tetrahydrofuran / 0.75 h / 20 °C 7.2: 90 percent / I2 / tetrahydrofuran / 96 h / 20 °C 8.1: 97 percent / NBS; Ph3P / CH2Cl2 / 18 h / 20 °C View Scheme
Multi-step reaction with 7 steps 1.1: potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride / acetonitrile / Reflux 2.1: potassium borohydride / methanol / 20 °C 3.1: phosphorus tribromide / dichloromethane / 2 h / 20 °C 4.1: lithium hexamethyldisilazane / tetrahydrofuran / 1.17 h / 70 °C / Inert atmosphere 4.2: 0 - 70 °C / Inert atmosphere 5.1: dihydrogen peroxide; lithium hydroxide monohydrate / tetrahydrofuran; water / 0 - 20 °C 6.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 5 h / 20 °C / Inert atmosphere 7.1: phosphorus tribromide / dichloromethane / 0 °C View Scheme

: 145589-03-3
(R)-4-benzyl-3-(3-methylbutyryl)oxazolidin-2-one

: 172900-69-5
(R)-4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Conditions

Yield

Multi-step reaction with 4 steps
1: 76 percent / LiHMDS / tetrahydrofuran
2: 81 percent / LiOH; H2O2
3: 95 percent / LAH / tetrahydrofuran
4: 97 percent / PPh3; NBS / CH2Cl2
View Scheme

Multi-step reaction with 4 steps
1.1: lithium hexamethyldisilazane / tetrahydrofuran / 1.17 h / 70 °C / Inert atmosphere
1.2: 0 - 70 °C / Inert atmosphere
2.1: dihydrogen peroxide; lithium hydroxide monohydrate / tetrahydrofuran; water / 0 - 20 °C
3.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 5 h / 20 °C / Inert atmosphere
4.1: phosphorus tribromide / dichloromethane / 0 °C
View Scheme

: 172900-75-3
4-methoxy-3-(3-methoxypropoxy)benzaldehyde

: 172900-69-5
(R)-4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: NaBH4 / ethanol 2: PBr3 / CH2Cl2 3: 76 percent / LiHMDS / tetrahydrofuran 4: 81 percent / LiOH; H2O2 5: 95 percent / LAH / tetrahydrofuran 6: 97 percent / PPh3; NBS / CH2Cl2 View Scheme
Multi-step reaction with 6 steps 1.1: 96 percent / NaBH4 / methanol / 1 h / 20 °C 2.1: 100 percent / Me3SiBr / 0.17 h / 20 °C 3.1: LiHMDS / tetrahydrofuran / 1.25 h / -70 °C 3.2: 86 percent / tetrahydrofuran / 18 h / 0 °C 4.1: 94 percent / H2O2; LiOH / tetrahydrofuran; H2O / 3 h / 20 °C 5.1: NaBH4 / tetrahydrofuran / 0.75 h / 20 °C 5.2: 90 percent / I2 / tetrahydrofuran / 96 h / 20 °C 6.1: 97 percent / NBS; Ph3P / CH2Cl2 / 18 h / 20 °C View Scheme
Multi-step reaction with 6 steps 1.1: sodium tetrahydroborate / tetrahydrofuran / 0 - 30 °C 1.2: pH 2 2.1: phosphorus tribromide / dichloromethane / 2.17 h / 0 - 5 °C 3.1: lithium hexamethyldisilazane / tetrahydrofuran / 2 h / -70 °C / Inert atmosphere 3.2: -70 - 5 °C 4.1: dihydrogen peroxide; lithium hydroxide monohydrate / water; tetrahydrofuran / 0 - 30 °C 5.1: sodium tetrahydroborate / tetrahydrofuran / 1 h / 0 - 5 °C / Inert atmosphere 5.2: 5.75 h / 0 - 30 °C 6.1: triphenylphosphine; N-Bromosuccinimide / dichloromethane / 5.5 h / -40 - 30 °C View Scheme

: 172900-71-9
(R)-3-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-(1-methylethyl)propanoic acid

: 172900-69-5
(R)-4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 95 percent / LAH / tetrahydrofuran 2: 97 percent / PPh3; NBS / CH2Cl2 View Scheme
Multi-step reaction with 2 steps 1.1: NaBH4 / tetrahydrofuran / 0.75 h / 20 °C 1.2: 90 percent / I2 / tetrahydrofuran / 96 h / 20 °C 2.1: 97 percent / NBS; Ph3P / CH2Cl2 / 18 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: sodium tetrahydroborate / tetrahydrofuran / 1 h / 0 - 5 °C / Inert atmosphere 1.2: 5.75 h / 0 - 30 °C 2.1: triphenylphosphine; N-Bromosuccinimide / dichloromethane / 5.5 h / -40 - 30 °C View Scheme
Multi-step reaction with 2 steps 1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 5 h / 20 °C / Inert atmosphere 2: phosphorus tribromide / dichloromethane / 0 °C View Scheme

: 172900-73-1
4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)-benzene

: 172900-69-5
(R)-4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 76 percent / LiHMDS / tetrahydrofuran 2: 81 percent / LiOH; H2O2 3: 95 percent / LAH / tetrahydrofuran 4: 97 percent / PPh3; NBS / CH2Cl2 View Scheme
Multi-step reaction with 4 steps 1.1: LiHMDS / tetrahydrofuran / 1.25 h / -70 °C 1.2: 86 percent / tetrahydrofuran / 18 h / 0 °C 2.1: 94 percent / H2O2; LiOH / tetrahydrofuran; H2O / 3 h / 20 °C 3.1: NaBH4 / tetrahydrofuran / 0.75 h / 20 °C 3.2: 90 percent / I2 / tetrahydrofuran / 96 h / 20 °C 4.1: 97 percent / NBS; Ph3P / CH2Cl2 / 18 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: lithium hexamethyldisilazane / tetrahydrofuran / 2 h / -70 °C / Inert atmosphere 1.2: -70 - 5 °C 2.1: dihydrogen peroxide; lithium hydroxide monohydrate / water; tetrahydrofuran / 0 - 30 °C 3.1: sodium tetrahydroborate / tetrahydrofuran / 1 h / 0 - 5 °C / Inert atmosphere 3.2: 5.75 h / 0 - 30 °C 4.1: triphenylphosphine; N-Bromosuccinimide / dichloromethane / 5.5 h / -40 - 30 °C View Scheme

: 172900-74-2
[4-methoxy-3-(3-methoxypropoxy)-phenyl]methanol

: 172900-69-5
(R)-4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: PBr3 / CH2Cl2 2: 76 percent / LiHMDS / tetrahydrofuran 3: 81 percent / LiOH; H2O2 4: 95 percent / LAH / tetrahydrofuran 5: 97 percent / PPh3; NBS / CH2Cl2 View Scheme
Multi-step reaction with 5 steps 1.1: 100 percent / Me3SiBr / 0.17 h / 20 °C 2.1: LiHMDS / tetrahydrofuran / 1.25 h / -70 °C 2.2: 86 percent / tetrahydrofuran / 18 h / 0 °C 3.1: 94 percent / H2O2; LiOH / tetrahydrofuran; H2O / 3 h / 20 °C 4.1: NaBH4 / tetrahydrofuran / 0.75 h / 20 °C 4.2: 90 percent / I2 / tetrahydrofuran / 96 h / 20 °C 5.1: 97 percent / NBS; Ph3P / CH2Cl2 / 18 h / 20 °C View Scheme
Multi-step reaction with 5 steps 1.1: phosphorus tribromide / dichloromethane / 2.17 h / 0 - 5 °C 2.1: lithium hexamethyldisilazane / tetrahydrofuran / 2 h / -70 °C / Inert atmosphere 2.2: -70 - 5 °C 3.1: dihydrogen peroxide; lithium hydroxide monohydrate / water; tetrahydrofuran / 0 - 30 °C 4.1: sodium tetrahydroborate / tetrahydrofuran / 1 h / 0 - 5 °C / Inert atmosphere 4.2: 5.75 h / 0 - 30 °C 5.1: triphenylphosphine; N-Bromosuccinimide / dichloromethane / 5.5 h / -40 - 30 °C View Scheme

: 172900-72-0
(4R)-3-{(2R)-2-{[4-methoxy-3-(methoxypropoxy)phenyl]methyl-3-methyl}-1-oxobutyl}-4-(phenylmethyl)oxazolidin-2-one

: 172900-69-5
(R)-4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 81 percent / LiOH; H2O2 2: 95 percent / LAH / tetrahydrofuran 3: 97 percent / PPh3; NBS / CH2Cl2 View Scheme
Multi-step reaction with 3 steps 1.1: 94 percent / H2O2; LiOH / tetrahydrofuran; H2O / 3 h / 20 °C 2.1: NaBH4 / tetrahydrofuran / 0.75 h / 20 °C 2.2: 90 percent / I2 / tetrahydrofuran / 96 h / 20 °C 3.1: 97 percent / NBS; Ph3P / CH2Cl2 / 18 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: dihydrogen peroxide; lithium hydroxide monohydrate / tetrahydrofuran; water / 0 - 20 °C 2: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 5 h / 20 °C / Inert atmosphere 3: phosphorus tribromide / dichloromethane / 0 °C View Scheme

: 148433-01-6
3-(3-bromopropoxy)-4-methoxybenzaldehyde

: 172900-69-5
(R)-4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1.1: 72 percent / NaOMe / methanol / 1.5 h / Heating 2.1: 96 percent / NaBH4 / methanol / 1 h / 20 °C 3.1: 100 percent / Me3SiBr / 0.17 h / 20 °C 4.1: LiHMDS / tetrahydrofuran / 1.25 h / -70 °C 4.2: 86 percent / tetrahydrofuran / 18 h / 0 °C 5.1: 94 percent / H2O2; LiOH / tetrahydrofuran; H2O / 3 h / 20 °C 6.1: NaBH4 / tetrahydrofuran / 0.75 h / 20 °C 6.2: 90 percent / I2 / tetrahydrofuran / 96 h / 20 °C 7.1: 97 percent / NBS; Ph3P / CH2Cl2 / 18 h / 20 °C View Scheme

Yield

Multi-step reaction with 7 steps
1.1: 72 percent / NaOMe / methanol / 1.5 h / Heating
2.1: 96 percent / NaBH4 / methanol / 1 h / 20 °C
3.1: 100 percent / Me3SiBr / 0.17 h / 20 °C
4.1: LiHMDS / tetrahydrofuran / 1.25 h / -70 °C
4.2: 86 percent / tetrahydrofuran / 18 h / 0 °C
5.1: 94 percent / H2O2; LiOH / tetrahydrofuran; H2O / 3 h / 20 °C
6.1: NaBH4 / tetrahydrofuran / 0.75 h / 20 °C
6.2: 90 percent / I2 / tetrahydrofuran / 96 h / 20 °C
7.1: 97 percent / NBS; Ph3P / CH2Cl2 / 18 h / 20 °C
View Scheme

: 503-74-2
3-methylbutyric acid

: 172900-69-5
(R)-4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: dmap / 1,1-dichloroethane / 0.5 h / 20 °C 1.2: 14.5 h / 10 - 30 °C 2.1: lithium hexamethyldisilazane / tetrahydrofuran / 2 h / -70 °C / Inert atmosphere 2.2: -70 - 5 °C 3.1: dihydrogen peroxide; lithium hydroxide monohydrate / water; tetrahydrofuran / 0 - 30 °C 4.1: sodium tetrahydroborate / tetrahydrofuran / 1 h / 0 - 5 °C / Inert atmosphere 4.2: 5.75 h / 0 - 30 °C 5.1: triphenylphosphine; N-Bromosuccinimide / dichloromethane / 5.5 h / -40 - 30 °C View Scheme
Multi-step reaction with 4 steps 1.1: dmap / 1,1-dichloroethane / 0.5 h / 20 °C 1.2: 14.5 h / 10 - 30 °C 2.1: lithium hexamethyldisilazane / tetrahydrofuran / 2 h / -70 °C / Inert atmosphere 2.2: -70 - 5 °C 3.1: sodium tetrahydroborate / tetrahydrofuran / 0 - 15 °C 3.2: 11 h / 60 - 65 °C 4.1: triphenylphosphine; N-Bromosuccinimide / dichloromethane / 5.5 h / -40 - 30 °C View Scheme
Multi-step reaction with 5 steps 1.1: dmap / 1,1-dichloroethane / 0.5 h / 20 °C 1.2: 14.5 h / 10 - 30 °C 2.1: titanium(IV) isopropylate; N-ethyl-N,N-diisopropylamine; titanium tetrachloride / dichloromethane / 1 h / 0 - 5 °C / Inert atmosphere 2.2: -30 - -25 °C 2.3: -30 - 5 °C 3.1: hydrogen; acetic acid / palladium on activated charcoal / 60 - 70 °C / 2942.29 Torr 4.1: sodium tetrahydroborate / tetrahydrofuran / 0 - 15 °C 4.2: 11 h / 60 - 65 °C 5.1: triphenylphosphine; N-Bromosuccinimide / dichloromethane / 5.5 h / -40 - 30 °C View Scheme
Multi-step reaction with 6 steps 1.1: dmap / 1,1-dichloroethane / 0.5 h / 20 °C 1.2: 14.5 h / 10 - 30 °C 2.1: titanium(IV) isopropylate; N-ethyl-N,N-diisopropylamine; titanium tetrachloride / dichloromethane / 1 h / 0 - 5 °C / Inert atmosphere 2.2: -30 - -25 °C 2.3: -30 - 5 °C 3.1: hydrogen; acetic acid / palladium on activated charcoal / 60 - 70 °C / 2942.29 Torr 4.1: dihydrogen peroxide; lithium hydroxide monohydrate / water; tetrahydrofuran / 0 - 30 °C 5.1: sodium tetrahydroborate / tetrahydrofuran / 1 h / 0 - 5 °C / Inert atmosphere 5.2: 5.75 h / 0 - 30 °C 6.1: triphenylphosphine; N-Bromosuccinimide / dichloromethane / 5.5 h / -40 - 30 °C View Scheme

2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene Specification

The 2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene, with the CAS registry number 172900-69-5, is also known as Benzene, 4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-. This chemical's molecular formula is C₁₇H₂₇BrO₃ and molecular weight is 359.2985. Its systematic name is called 4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene.

Physical properties of 2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene: (1)ACD/LogP: 4.72; (2)ACD/LogD (pH 5.5): 4.72; (3)ACD/LogD (pH 7.4): 4.72; (4)ACD/BCF (pH 5.5): 2258.19; (5)ACD/BCF (pH 7.4): 2258.19; (6)ACD/KOC (pH 5.5): 8754.22; (7)ACD/KOC (pH 7.4): 8754.22; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 10; (10)Index of Refraction: 1.506; (11)Molar Refractivity: 90.98 cm³; (12)Molar Volume: 306 cm³; (13)Surface Tension: 34.5 dyne/cm; (14)Density: 1.173 g/cm³; (15)Flash Point: 164.4 °C; (16)Enthalpy of Vaporization: 62.42 kJ/mol; (17)Boiling Point: 398.8 °C at 760 mmHg; (18)Vapour Pressure: 3.29E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC[C@@H](C(C)C)Cc1cc(OCCCOC)c(OC)cc1
(2)InChI: InChI=1/C17H27BrO3/c1-13(2)15(12-18)10-14-6-7-16(20-4)17(11-14)21-9-5-8-19-3/h6-7,11,13,15H,5,8-10,12H2,1-4H3/t15-/m0/s1
(3)InChIKey: ICJBMWOVLFPLFP-HNNXBMFYBP

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