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939-90-2

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939-90-2 Structure

939-90-2 Structure
IdentificationMore
[Name]

TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID
[CAS]

939-90-2
[Synonyms]

TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID
TRANS-2-PHENYLCYCLOPROPANE-1-CARBOXYLIC ACID
Cyclopropanecarboxylic acid, 2-phenyl-, trans-
trans-2-Phenylcyclopropanecarboxylic acid
Cyclopropanecarboxylic acid, 2-phenyl-, (1R,2R)-rel-
rel-2α*-Phenyl-1β*-cyclopropanecarboxylic acid
rel-2α*-Phenylcyclopropane-1β*-carboxylic acid
rel-2β*-Phenylcyclopropane-1α*-carboxylic acid
[EINECS(EC#)]

213-366-3
[Molecular Formula]

C10H10O2
[MDL Number]

MFCD00001292
[Molecular Weight]

162.19
[MOL File]

939-90-2.mol
Questions And AnswerBack Directory
[Synthesis]

Starting with cinnamic acid, racemic 2-phenylcyclopropane-carboxylic acid was prepared via methylation, cyclopropanation, and hydrolysis. The target compound, TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID, was then obtained by chiral resolution. The synthetic reaction formula for 2-phenylcyclopropane-carboxylic acid is shown in the figure below:

Synthesis of 939-90-2

Chemical PropertiesBack Directory
[Appearance]

White to beige crystalline powder
[Melting point ]

86-88 °C(lit.)
[Boiling point ]

248.88°C (rough estimate)
[density ]

1.0613 (rough estimate)
[refractive index ]

1.5782 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform, Dichloromethane, Ethanol
[form ]

Crystalline Powder
[pka]

4.57±0.10(Predicted)
[color ]

Yellow or beige
[BRN ]

3197783
[InChIKey]

AHDDRJBFJBDEPW-DTWKUNHWSA-N
[CAS DataBase Reference]

939-90-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29163990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Diethyl ether-->Magnesium sulfate-->Hydrazinium hydroxide solution-->Benzaldehyde-->Acrylonitrile-->Silver oxide-->Cyclopropanepropanoic acid, β-oxo-2-phenyl-α-(triphenylphosphoranylidene)-, ethyl ester, trans- (9CI)-->Iodoform-->Ethyl trans-2-phenylcyclopropanecarboxylate-->trans-Cinnamic acid
Hazard InformationBack Directory
[Chemical Properties]

White to beige crystalline powder
[Uses]

Intermediate in the production of 2C receptor agonists.
[Definition]

ChEBI: Trans-2-Phenylcyclopropanecarboxylic acid is a member of benzenes.
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID(939-90-2)MS
TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID(939-90-2)1HNMR
TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID(939-90-2)13CNMR
TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID(939-90-2)IR1
TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID(939-90-2)IR2
TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID(939-90-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans-2-Phenylcyclopropane-1-carboxylic acid, 92%(939-90-2)
[Sigma Aldrich]

939-90-2(sigmaaldrich)
[TCI AMERICA]

trans-2-Phenyl-1-cyclopropanecarboxylic Acid,>98.0%(T)(939-90-2)
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