ChemicalBook--->CAS DataBase List--->41138-61-8

41138-61-8

41138-61-8 Structure

41138-61-8 Structure
IdentificationBack Directory
[Name]

METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE
[CAS]

41138-61-8
[Synonyms]

Misoprostol EP Impurity F
methyl (R)-(+)-3-hydroxy-5-oxo-1-cyclo-pentene-1-
METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE
(R)-Methyl 7-(3-hydroxy-5-oxocyclopent-1-en-1-yl)heptanoate
1-Cyclopentene-1-heptanoic acid, 3-hydroxy-5-oxo-, Methyl ester, (3R)-
METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLO-P ENTENE-1-HEPTANOATE, 97%(97% EE/HPLC)
[Molecular Formula]

C13H20O4
[MDL Number]

MFCD00134675
[MOL File]

41138-61-8.mol
[Molecular Weight]

240.3
Chemical PropertiesBack Directory
[Melting point ]

59-63 °C(lit.)
[alpha ]

10 º (C=1 IN CHLOROFORM)
[Boiling point ]

378.4±42.0 °C(Predicted)
[density ]

1.125±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Methanol (Slightly, Sonicated)
[form ]

Solid
[pka]

12.95±0.40(Predicted)
[color ]

Light Beige
[Optical Rotation]

[α]23/D +10°, c = 1 in chloroform
[Stability:]

Hygroscopic
[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
[InChIKey]

PQKUWAVOSCVDCT-NSHDSACASA-N
[SMILES]

C1(CCCCCCC(OC)=O)C(=O)C[C@@H](O)C=1
Safety DataBack Directory
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

Misoprostol is reported to be as an ingredient of (+)-norprostol. Misoprostol is developed for the treatment of peptic ulcer disease.
[Synthesis Reference(s)]

Synthesis, p. 781, 1986 DOI: 10.1055/s-1986-31779
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE(41138-61-8)IR
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