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Cas Database

Name	Methyl (R)-(+)-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoate	EINECS	N/A
CAS No.	41138-61-8	Density	1.125 g/cm³
PSA	63.60000	LogP	1.76010
Solubility	N/A	Melting Point	59-63 °C(lit.)
Formula	C₁₃H₂₀O₄	Boiling Point	378.435 °C at 760 mmHg
Molecular Weight	240.299	Flash Point	138.885 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1-Cyclopentene-1-heptanoicacid, 3-hydroxy-5-oxo-, methyl ester, (R)-;(R)-2-[6-(Methoxycarbonyl)hexyl]-4-hydroxy-2-cyclopenten-1-one;2-(6'-Carbomethoxyhexyl)-4-hydroxy-2-cyclopenten-1-one;Methyl(R)-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoate;	Article Data	16

Methyl (R)-(+)-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoate Synthetic route

: 127126-27-6
methyl 7-<3(R)-(acetyloxy)-5-oxo-1-cyclopenten-1-yl>heptanoate

: 41138-61-8
(4R)-4-hydroxy-2-(6-methoxycarbonylhexyl)cyclopent-2-enone

Conditions

Conditions	Yield
With guanidine nitrate	98%
With guanidine nitrate In methanol at 0℃;

: 60934-42-1
7-{5-oxo-3-[(tetrahydro-2H-pyran-2-yl)oxy]cyclopent-1-en-1-yl}heptanoic acid methyl ester

: 41138-61-8
(4R)-4-hydroxy-2-(6-methoxycarbonylhexyl)cyclopent-2-enone

Conditions

Conditions	Yield
With acetic acid In tetrahydrofuran; water for 24h; Ambient temperature;	88%

: 41138-65-2
Benzoic acid (R)-4-hydroxy-2-(6-methoxycarbonyl-hexyl)-3-oxo-cyclopent-1-enyl ester

: 41138-61-8
(4R)-4-hydroxy-2-(6-methoxycarbonylhexyl)cyclopent-2-enone

Conditions

Conditions	Yield
(i) Al, (ii) AcOH; Multistep reaction;

: 53147-05-0
7-((R)-4-Hydroxy-2-isopropoxy-5-oxo-cyclopent-1-enyl)-heptanoic acid methyl ester

: 41138-61-8
(4R)-4-hydroxy-2-(6-methoxycarbonylhexyl)cyclopent-2-enone

Conditions

Conditions	Yield
(i) Al, (ii) AcOH; Multistep reaction;

: 41138-69-6
7-{3-[(tert-butyldimethylsilanyl)oxy]-5-oxocyclopent-1-en-1-yl}heptanoic acid methyl ester

: 41138-61-8
(4R)-4-hydroxy-2-(6-methoxycarbonylhexyl)cyclopent-2-enone

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran

: 7-[(R)-3-Oxo-5-(tetrahydro-pyran-2-yloxy)-cyclopent-1-enyl]-heptanoic acid methyl ester

: 41138-61-8
(4R)-4-hydroxy-2-(6-methoxycarbonylhexyl)cyclopent-2-enone

Conditions

Conditions	Yield
With acetic acid

: 251659-67-3
7-((S)-3-Methanesulfonyloxy-5-oxo-cyclopent-1-enyl)-heptanoic acid methyl ester

: 41138-61-8
(4R)-4-hydroxy-2-(6-methoxycarbonylhexyl)cyclopent-2-enone

Conditions

Conditions	Yield
With guanidine nitrate In methanol at 0℃; for 0.25h; Substitution; Mitsunobu inversion;

: 38199-47-2
8-(furan-2-yl)-8-oxooctanoic acid methyl ester

: 41138-61-8
(4R)-4-hydroxy-2-(6-methoxycarbonylhexyl)cyclopent-2-enone

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: aq. phosphate buffer; dioxane / 30 h / pH 8 / Heating 2: 46 percent / PPL 3: 98 percent / guanidine View Scheme

: 3946-32-5
suberic acid monomethyl ester

: 41138-61-8
(4R)-4-hydroxy-2-(6-methoxycarbonylhexyl)cyclopent-2-enone

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: aq. phosphate buffer; dioxane / 30 h / pH 8 / Heating 2: 46 percent / PPL 3: 98 percent / guanidine View Scheme

: 40098-26-8
methyl 7-(3-hydroxy-5-oxocyclopent-1-en-1-yl)heptanoate

: 41138-61-8
(4R)-4-hydroxy-2-(6-methoxycarbonylhexyl)cyclopent-2-enone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 46 percent / PPL 2: 98 percent / guanidine View Scheme
Multi-step reaction with 2 steps 1: lipase (PPL) 2: quanidine / methanol / 0 °C View Scheme

Methyl (R)-(+)-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoate Specification

The Methyl (R)-(+)-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoate ,its cas register number is 41138-61-8.It also can be called as 1-Cyclopentene-1-heptanoicacid, 3-hydroxy-5-oxo-, methyl ester, (3R)- and the Systematic name about this chemicals is methyl 7-[(3R)-3-hydroxy-5-oxocyclopent-1-en-1-yl]heptanoate .It belongs to the following product categories, such as Chiral Building Blocks, Esters, Organic Building Blocks and so on.

Following are the chemical properties about Methyl (R)-(+)-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoate :(1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 63.6Å²; (5)Index of Refraction: 1.504; (6)Molar Refractivity: 63.278 cm³; (7)Molar Volume: 213.581 cm³; (8)Polarizability: 25.085x10^-24cm³; (9)Surface Tension: 44.208 dyne/cm; (10)Enthalpy of Vaporization: 72.454 kJ/mol; (11)Vapour Pressure: 0 mmHg at 25°C

This chemicals can be described computed from structure:
(1)SMILES: O=C1\C(=C/[C@H](O)C1)CCCCCCC(=O)OC
(2)InChI: InChI=1/C13H20O4/c1-17-13(16)7-5-3-2-4-6-10-8-11(14)9-12(10)15/h8,11,14H,2-7,9H2,1H3/t11-/m0/s1
(3)InChIKey: PQKUWAVOSCVDCT-NSHDSACABK
(4)Std. InChI: InChI=1S/C13H20O4/c1-17-13(16)7-5-3-2-4-6-10-8-11(14)9-12(10)15/h8,11,14H,2-7,9H2,1H3/t11-/m0/s1
(5)Std. InChIKey: PQKUWAVOSCVDCT-NSHDSACASA-N

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