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41138-61-8

Basic Information
CAS No.: 41138-61-8
Name: METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE
Article Data: 16
Molecular Structure:
Molecular Structure of 41138-61-8 (METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE)
Formula: C13H20O4
Molecular Weight: 240.299
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;
Density: 1.125 g/cm3
Melting Point: 59-63 °C(lit.)
Boiling Point: 378.435 °C at 760 mmHg
Flash Point: 138.885 °C
PSA: 63.60000
LogP: 1.76010
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
ConditionsYield
With guanidine nitrate98%
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
ConditionsYield
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
ConditionsYield
(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
ConditionsYield
(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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
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  • METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE

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    41138-61-8

    1-Cyclopentene-1-heptanoicacid, 3-hydroxy-5-oxo-, methyl ester, (3R)-

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  • 1-Cyclopentene-1-heptanoic acid, 3-hydroxy-5-oxo-, methyl ester, (3R)-

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    41138-61-8

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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