Sodium (Z)-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate

Basic Information

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CAS Number

62561-03-9

Molecular Formula

C22H28ClNaO6

Molecular Weight

446.9 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

68-70 ºC

Boiling Point

628ºC at 760 mmHg

Flash Point

333.6 °C

SMILES

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C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19-,20+,21-;/m1./s1

InChIKey

IFEJLMHZNQJGQU-KXXGZHCCSA-M

LogP

1.86030

Complexity

558

Synonyms & References

English

5-Heptenoic acid, 7-((1R,2R,3R,5S)-2-((1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, monosodium salt, (5Z)-rel-
A850969
CLOPROSTENOL SODIUM (USP MONOGRAPH)
EINECS 259-439-3
(+)-Cloprostenol sodium
16-(m-Chlorophenoxy)-tetranor- prostaglandin F2alpha,sodium salt
Sodium, Cloprostenol
HMS1361O21
(+/-)-Cloprostenol sodium salt
(+)-Cloprostenol (sodium salt)
Sodium (Z)-rel-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate
(+)-16-m-chlorophenoxy tetranor PGF2alpha
AC-6102
AT39750
HMS3413C18
SCHEMBL28242
81129I41BJ
(5Z)-rel-7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid monosodium salt
5-HEPTENOIC ACID, 7-(2-(4-(3-CHLOROPHENOXY)-3-HYDROXY-1-BUTENYL)-3,5-DIHYDROXYCYCLOPENTYL)-, (1A(Z),2B(1E,3R*),3alpha,5alpha)-, SODIUM SALT, (+/-)-
(+/-)-SODIUM (Z)-7-((1R*,2R*,3R*,5S*)-2-((E)-(3R*)-4-(M-CHLOROPHENOXY)-3-HYDROXY-1-BUTENYL)-3,5-DIHYDROXYCYCLOPENTYL)-5-HEPTENOATE
UNII-81129I41BJ
Sodium;(Z)-7-[(1S,2S,3S,5R)-2-[(E,3S)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
CHEMBL1520583
Sodium(Z)-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate
CLOPROSTENOL SODIUM [GREEN BOOK]
J-524247
Sodium (Z)-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate
SYNCHSURE
CLOPROSTENOL SODIUM (USP-RS)
(5Z)-rel-Cloprostenol Sodium
EX-A1351

MDL Number

MFCD00132875

FAQ

What are the physical and chemical properties of Sodium (Z)-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate (CAS: 62561-03-9)?

This compound is a crystalline solid with a molecular weight of approximately 612.27 g/mol. It is poorly soluble in water but soluble in organic solvents such as dimethylformamide (DMF) and acetonitrile. Chemically, it exhibits reactivity typical of an alkene and phenol groups, making it susceptible to oxidation and hydrolysis under certain conditions. It is generally stable under anhydrous and inert conditions but requires handling under a protective atmosphere.

How is Sodium (Z)-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate (CAS: 62561-03-9) typically synthesized?

This compound is synthesized through a multistep process involving the conjugate addition of a conjugated diene to an alkene, followed by the introduction of a chlorophenoxy group and hydroxylation. Commonly used catalysts include transition metals such as palladium or rhodium. The synthetic route involves multiple steps with careful control of reaction conditions to achieve high selectivity and yield.

What industries use Sodium (Z)-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate (CAS: 62561-03-9)?

This compound is primarily used in the pharmaceutical industry for the development of new drugs due to its specific structural features. It may also find applications in the polymer industry for the synthesis of advanced materials with enhanced properties. Its unique chemical structure makes it valuable for research in sensor technology and semiconductor manufacturing.

What precautions should be taken when handling Sodium (Z)-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate (CAS: 62561-03-9)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat is essential when handling this compound. It should be stored in a cool, dry place away from direct sunlight. Fume hoods should be used during handling to minimize exposure. In case of spill, immediately clean up using appropriate absorbent material and follow standard laboratory safety protocols. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.