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Basic Information
CAS No.: 324763-39-5
Name: Benzene, 4-[(2R)-2-(chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-
Article Data: 8
Molecular Structure:
Molecular Structure of 324763-39-5 (Benzene, 4-[(2R)-2-(chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-)
Formula: C17H27ClO3
Molecular Weight: 314.853
Synonyms: 2-(3-methoxypropoxy)-4-[(R)-2-(chloromethyl)-3-methylbutyl]-1-methoxybenzene;Benzene,4-[(2R)-2-(chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-;
Density: 1.035 g/cm3
Boiling Point: 398.462 °C at 760 mmHg
Flash Point: 122.153 °C
PSA: 27.69000
LogP: 4.16400
Related products
Synthetic route
172900-70-8

(R)-2-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutanol

324763-39-5

(R)-2-[4-methoxy-3-(3-methoxypropoxyl)]phenylmethyl-3-methyl-1-chlorobutane

Conditions
ConditionsYield
With tetrachloromethane; TOP at 20℃; for 16h; trioctylphosphine was added at 10 °ree;C;82%
With pyridine; thionyl chloride70%
With N,N-dimethyl-formamide; trichlorophosphate In toluene at 80℃;
943349-14-2

2-(3-(3-methoxypropoxy)-4-methoxybenzyl)-3-methylbutanol

324763-39-5

(R)-2-[4-methoxy-3-(3-methoxypropoxyl)]phenylmethyl-3-methyl-1-chlorobutane

Conditions
ConditionsYield
With thionyl chloride; N,N-dimethyl-formamide In toluene at 90℃; for 2h; Product distribution / selectivity;64%
172900-75-3

4-methoxy-3-(3-methoxypropoxy)benzaldehyde

324763-39-5

(R)-2-[4-methoxy-3-(3-methoxypropoxyl)]phenylmethyl-3-methyl-1-chlorobutane

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: 82 percent
2.1: H2 / Pd/C / ethyl acetate / 20 °C
3.1: (COCl)2 / dimethylformamide / 20 °C
4.1: NaOH / toluene / 20 °C
5.1: LDA; LiCl / tetrahydrofuran / 0 °C
5.2: tetrahydrofuran / 20 °C / Heating
6.1: 66 percent / BH3*NH3; n-BuLi / tetrahydrofuran / 20 °C
7.1: POCl3; DMF / toluene / 80 °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: N-chloro-succinimide; triphenylphosphine / dichloromethane / 5.5 h / -40 - 30 °C
View Scheme
Multi-step reaction with 4 steps
1.1: titanium(IV) isopropylate; N-ethyl-N,N-diisopropylamine; titanium tetrachloride / dichloromethane / 1 h / 0 - 5 °C / Inert atmosphere
1.2: -30 - -25 °C
1.3: -30 - 5 °C
2.1: hydrogen; acetic acid / palladium on activated charcoal / 60 - 70 °C / 2942.29 Torr
3.1: sodium tetrahydroborate / tetrahydrofuran / 0 - 15 °C
3.2: 11 h / 60 - 65 °C
4.1: N-chloro-succinimide; triphenylphosphine / dichloromethane / 5.5 h / -40 - 30 °C
View Scheme

3-[4-methoxy-3-(3-methoxy-propoxy)-phenyl]-propionic acid

324763-39-5

(R)-2-[4-methoxy-3-(3-methoxypropoxyl)]phenylmethyl-3-methyl-1-chlorobutane

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: (COCl)2 / dimethylformamide / 20 °C
2.1: NaOH / toluene / 20 °C
3.1: LDA; LiCl / tetrahydrofuran / 0 °C
3.2: tetrahydrofuran / 20 °C / Heating
4.1: 66 percent / BH3*NH3; n-BuLi / tetrahydrofuran / 20 °C
5.1: POCl3; DMF / toluene / 80 °C
View Scheme

3-[4-methoxy-3-(3-methoxy-propoxy)-phenyl]-propionyl chloride

324763-39-5

(R)-2-[4-methoxy-3-(3-methoxypropoxyl)]phenylmethyl-3-methyl-1-chlorobutane

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: NaOH / toluene / 20 °C
2.1: LDA; LiCl / tetrahydrofuran / 0 °C
2.2: tetrahydrofuran / 20 °C / Heating
3.1: 66 percent / BH3*NH3; n-BuLi / tetrahydrofuran / 20 °C
4.1: POCl3; DMF / toluene / 80 °C
View Scheme
324763-36-2

(E)-3-[4-Methoxy-3-(3-methoxy-propoxy)-phenyl]-acrylic acid

324763-39-5

(R)-2-[4-methoxy-3-(3-methoxypropoxyl)]phenylmethyl-3-methyl-1-chlorobutane

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: H2 / Pd/C / ethyl acetate / 20 °C
2.1: (COCl)2 / dimethylformamide / 20 °C
3.1: NaOH / toluene / 20 °C
4.1: LDA; LiCl / tetrahydrofuran / 0 °C
4.2: tetrahydrofuran / 20 °C / Heating
5.1: 66 percent / BH3*NH3; n-BuLi / tetrahydrofuran / 20 °C
6.1: POCl3; DMF / toluene / 80 °C
View Scheme
172900-71-9

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

324763-39-5

(R)-2-[4-methoxy-3-(3-methoxypropoxyl)]phenylmethyl-3-methyl-1-chlorobutane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 90 percent / NaBH4; I2 / 96 h / 20 °C
2: 70 percent / SOCl2; pyridine
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: N-chloro-succinimide; triphenylphosphine / dichloromethane / 5.5 h / -40 - 30 °C
View Scheme
Multi-step reaction with 2 steps
1: sulfuric acid; sodium tetrahydroborate / tetrahydrofuran / 0 - 20 °C
2: thionyl chloride / toluene; N,N-dimethyl acetamide / 2.5 h / 89 - 95 °C
View Scheme
Multi-step reaction with 2 steps
1.1: sodium tetrahydroborate / tetrahydrofuran / 1 h / 0 °C / Inert atmosphere; Large scale
1.2: 0 °C / Large scale
2.1: thionyl chloride; sodium hydroxide / toluene; N,N-dimethyl-formamide / 0.5 h / 90 °C / Inert atmosphere; Large scale
View Scheme
324763-37-3

N-(2-hydroxy-1-methyl-2-phenyl-ethyl)-3-[4-methoxy-3-(3-methoxy-propoxy)-phenyl]-N-methyl-propionamide

324763-39-5

(R)-2-[4-methoxy-3-(3-methoxypropoxyl)]phenylmethyl-3-methyl-1-chlorobutane

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: LDA; LiCl / tetrahydrofuran / 0 °C
1.2: tetrahydrofuran / 20 °C / Heating
2.1: 66 percent / BH3*NH3; n-BuLi / tetrahydrofuran / 20 °C
3.1: POCl3; DMF / toluene / 80 °C
View Scheme
324763-38-4

N-(2-hydroxy-1-methyl-2-phenyl-ethyl)-2-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-3,N-dimethyl-butyramide

324763-39-5

(R)-2-[4-methoxy-3-(3-methoxypropoxyl)]phenylmethyl-3-methyl-1-chlorobutane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 66 percent / BH3*NH3; n-BuLi / tetrahydrofuran / 20 °C
2: POCl3; DMF / toluene / 80 °C
View Scheme
503-74-2

3-methylbutyric acid

324763-39-5

(R)-2-[4-methoxy-3-(3-methoxypropoxyl)]phenylmethyl-3-methyl-1-chlorobutane

Conditions
ConditionsYield
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: N-chloro-succinimide; triphenylphosphine / 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: N-chloro-succinimide; triphenylphosphine / 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: N-chloro-succinimide; triphenylphosphine / 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: N-chloro-succinimide; triphenylphosphine / dichloromethane / 5.5 h / -40 - 30 °C
View Scheme
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Chemistry

The Molecular Structure of 4-[(2R)-2-(Chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene (CAS NO.324763-39-5):

Empirical Formula: C17H27ClO3
Molecular Weight: 314.8475 
Product Categories: Drug Intermediates
Nominal Mass: 314 Da
Average Mass: 314.8475 Da
Monoisotopic Mass: 314.164872 Da 
Index of Refraction: 1.491
Molar Refractivity: 88.101 cm3
Molar Volume: 304.303 cm3
Surface Tension: 32.861 dyne/cm
Density: 1.035 g/cm3
Flash Point: 122.153 °C
Enthalpy of Vaporization: 62.374 kJ/mol
Boiling Point: 398.462 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C 
Synonyms: Benzene,4-[(2r)-2-(chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-