ChemicalBook--->CAS DataBase List--->4890-85-1

4890-85-1

4890-85-1 Structure

4890-85-1 Structure
IdentificationMore
[Name]

2-Bibenzylcarboxylic acid
[CAS]

4890-85-1
[Synonyms]

2-BIBENZYLCARBOXYLIC ACID
2-PHENETHYLBENZOIC ACID
AKOS BC-0835
LABOTEST-BB LT00159422
PHENYL ETHYL BENZOIC ACID
o-phenethylbenzoic acid
2-Dibenzylcarboxylic acid
2-BIBENZYLCARBOXYLIC ACID 98%
[EINECS(EC#)]

225-511-8
[Molecular Formula]

C15H14O2
[MDL Number]

MFCD02093269
[Molecular Weight]

226.27
[MOL File]

4890-85-1.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystalline powder
[Melting point ]

127-132 °C
[Boiling point ]

259 °C
[density ]

1.0891 (rough estimate)
[refractive index ]

1.6530 (estimate)
[storage temp. ]

2-8°C
[pka]

4.08±0.36(Predicted)
[CAS DataBase Reference]

4890-85-1(CAS DataBase Reference)
Questions And AnswerBack Directory
[Uses]

2-Phenylacetic acid can be used as a pharmaceutical synthesis intermediate, such as as an intermediate compound for the neurological drug amitriptyline. Amitriptyline (also known as amitriptyline, iritriptyline, aminotricycloheptanine, etc.) is an important clinical drug that can be used to treat various mental illnesses such as anxiety or psychogenic depression, panic disorder, emotional tension, mental disorders, or gastrointestinal neurosis.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

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 .
[REACH Registrations]

Active
[HS Code ]

29163990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phthalic anhydride-->Phenylacetic acid-->Sodium benzoate-->hydracide-->ethylbenzoic acid
Hazard InformationBack Directory
[Chemical Properties]

white to off-white crystalline powder
[Synthesis]

The preparation of 2-phenylethylbenzoic acid is as follows: 100 mmol of compound (I), 100 mmol of compound (II), 8 mmol of catalyst bis(cyanomethyl)palladium dichloride, 10 mmol of nitrogen-containing multidentate ligand, 180 mmol of oxidant bis(trifluoro
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bibenzylcarboxylic acid(4890-85-1)MS
2-Bibenzylcarboxylic acid(4890-85-1)1HNMR
2-Bibenzylcarboxylic acid(4890-85-1)13CNMR
2-Bibenzylcarboxylic acid(4890-85-1)IR1
2-Bibenzylcarboxylic acid(4890-85-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Bibenzylcarboxylic acid, 98%(4890-85-1)
[Sigma Aldrich]

4890-85-1(sigmaaldrich)
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