methyl (2Z,5Z)-7-[(2R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hepta-2,5-dienoate

Names

[ CAS No. ]:
62559-74-4

[ Name ]:
methyl (2Z,5Z)-7-[(2R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hepta-2,5-dienoate

[Synonym ]:
(Z)-7-hexadecenoic acid
Hypogeic acid
C16:1 (7-Z)
cis-7-Hexadecenoic Acid
cis-7-Hexadecensaeure
cis-Hexadecen-(7)-saeure-(1)
cis-Hexadecen-(7)-saeure

Chemical & Physical Properties

[ Density]:
1.298g/cm3

[ Boiling Point ]:
575.2ºC at 760 mmHg

[ Molecular Formula ]:
C24H29F3O6

[ Molecular Weight ]:
470.47900

[ Flash Point ]:
301.7ºC

[ Exact Mass ]:
470.19200

[ PSA ]:
96.22000

[ LogP ]:
3.42480

[ Index of Refraction ]:
1.567

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MI5431500
CHEMICAL NAME :
2,5-Heptadienoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-(trifluoromethyl)p henoxy)-1- butenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(2E,5Z),2-beta(1E,3R*),3-alpha,5-alpha))-
CAS REGISTRY NUMBER :
62559-74-4
LAST UPDATED :
198910
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C24-H29-F3-O6
MOLECULAR WEIGHT :
470.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
78 ug/kg
SEX/DURATION :
female 3-5 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,525,1980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate
  • methyl (Z)-7-[(1R,2R,3R,5S)-5-acetoxy-2-formyl-3-(2-tetrahydropyranyloxy)cyclopentyl]-5-heptenate
  • methyl (5Z)-7-{(1R,2S,3R,5R)-5-acetoxy-2-hydroxymethyl-3-[(2-oxacyclohexyl)oxy]-cyclopentyl}-5-heptenoate
  • methyl (Z)-7-((1R,2R,3R,5S)-5-hydroxy-2-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)-3-((tetrahydro-2H-pyran-2-yl)oxy)cyclopentyl)hept-5-enoate
  • 16-[-3(trifluoromethyl)phenoxy]-17,18,19,20-tetranor-15-dehydroprostaglandin F2α 9-acetate methyl ester 11-(tetrahydropyran-2-yl ether)

DownStream

Related Compounds

  • (2-Methoxy-4-(prop-1-yn-1-yl)phenyl)methanamine
  • tert-butyl N-[2-(chlorosulfonyl)ethyl]-N-(2,2,2-trifluoroethyl)carbamate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 5-Chloro-2-cyclohexylquinolin-3-ol
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde