ChemicalBook--->CAS DataBase List--->606-83-7

606-83-7

606-83-7 Structure

606-83-7 Structure
IdentificationMore
[Name]

3,3-Diphenylpropionic acid
[CAS]

606-83-7
[Synonyms]

3,3-DIPHENYL-1-PROPIONIC ACID
3,3-DIPHENYLPROPIONIC ACID
BETA,BETA-DIPHENYLPROPIONIC ACID
RARECHEM AL BO 0715
TIMTEC-BB SBB007721
3,3-Dipenylpropionicacid
3,3-Diphenylpropanoic acid
3,3-Diphenylpropanoicacid
Benzhydrylaceticacid
beta-Phenylbenzenepropanoic acid
beta-phenyl-benzenepropanoicaci
Diphenylpropionic acid
Hydrocinnamic acid, beta-phenyl-
-Phenylbenzenepropanoicacid
Propionic acid, 3,3-diphenyl-
3,3-Diphenylpropionicacid,96%
3,3-DIPHENYLPROPIONIC ACID 97%
b-Phenylbenzenepropanoic acid
[EINECS(EC#)]

210-125-4
[Molecular Formula]

C15H14O2
[MDL Number]

MFCD00002717
[Molecular Weight]

226.27
[MOL File]

606-83-7.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO LIGHT YELLOW CRYSTALLINE POWDER
[Melting point ]

151-154 °C (lit.)
[Boiling point ]

327.88°C (rough estimate)
[density ]

1.0891 (rough estimate)
[refractive index ]

1.6530 (estimate)
[Fp ]

113 °C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Crystalline Powder
[pka]

4.45±0.10(Predicted)
[color ]

White to light yellow
[Water Solubility ]

slightly soluble
[BRN ]

1912506
[InChI]

1S/C15H14O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)
[InChIKey]

BZQGAPWJKAYCHR-UHFFFAOYSA-N
[SMILES]

OC(=O)CC(c1ccccc1)c2ccccc2
[CAS DataBase Reference]

606-83-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenepropanoic acid, «beta»-phenyl-(606-83-7)
[EPA Substance Registry System]

606-83-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Aluminium chloride hexahydrate
[Preparation Products]

1-Bromo-3,3-diphenylpropane-->3,3-Diphenylpropanol-->3-Phenyl-1-indanone-->3,3-Diphenylpropionic Acid Ethyl Ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,3-Diphenylpropionic acid(606-83-7).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO LIGHT YELLOW CRYSTALLINE POWDER
[Uses]

3,3-Diphenylpropionic Acid is used in the preparation of steroid 5α-reductase inhibiting acylpiperidines. It can also be used in the preparation of calpain-inhibitory piptidyl α-ketoacids and esters.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 91, p. 7510, 1969 DOI: 10.1021/ja01054a049
The Journal of Organic Chemistry, 39, p. 623, 1974 DOI: 10.1021/jo00919a009
Tetrahedron Letters, 35, p. 1539, 1994 DOI: 10.1016/S0040-4039(00)76752-9
[Purification Methods]

Crystallise the acid from EtOH. [Beilstein 9 H 680.]
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-Diphenylpropionic acid(606-83-7)MS
3,3-Diphenylpropionic acid(606-83-7)1HNMR
3,3-Diphenylpropionic acid(606-83-7)13CNMR
3,3-Diphenylpropionic acid(606-83-7)IR1
3,3-Diphenylpropionic acid(606-83-7)IR2
3,3-Diphenylpropionic acid(606-83-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,3-Diphenylpropionic acid, 97%(606-83-7)
[Sigma Aldrich]

606-83-7(sigmaaldrich)
[TCI AMERICA]

3,3-Diphenylpropionic Acid,>95.0%(T)(606-83-7)
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