4226-57-7

Basic information

• Product Name: 2,2-diphenylbutyric acid
• Synonyms: α-Ethyl-α-phenylbenzeneacetic acid;2,2-di(phenyl)butanoic acid;ZFTRKIIOOVMXCS-UHFFFAOYSA-N
• CAS NO: 4226-57-7
• Molecular Formula: C₁₆H₁₆O₂
• Molecular Weight: 240.3047
• EINECS: 224-177-0
• Mol File: 4226-57-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 316.6°Cat760mmHg
• Flash Point: 159.5°C
• Appearance: /
• Density: 1.123g/cm³
• Vapor Pressure: 0.000171mmHg at 25°C
• Refractive Index: 1.574
• CAS DataBase Reference: 2,2-diphenylbutyric acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-diphenylbutyric acid(4226-57-7)
• EPA Substance Registry System: 2,2-diphenylbutyric acid(4226-57-7)

Safety Data

• Hazardous Substances Data: 4226-57-7(Hazardous Substances Data)

Usage

General Description

2,2-diphenylbutyric acid is a synthetic compound used primarily as a chiral auxiliary in organic chemistry for the asymmetric synthesis of various compounds. It is also used as a precursor in the production of pharmaceuticals and agrochemicals. The compound is a white crystalline solid with a molecular formula of C16H16O2 and a molecular weight of 240.30 g/mol. It is insoluble in water but soluble in organic solvents such as ethanol and ether. 2,2-diphenylbutyric acid is considered relatively stable under normal conditions and does not pose significant hazards to human health and the environment.

InChI:InChI=1/C16H16O2/c1-2-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18)

Upstream product

• 5558-68-9 2,2-diphenyl-butyronitrile 
• 105539-07-9 2,2-diphenyl-butyraldehyde 
• 86-29-3 Diphenylacetonitrile 
• 37896-66-5 1-Methoxy-1,1-diphenylpropan 
• 74-96-4 ethyl bromide 
• 117-34-0 2,2-diphenylacetic acid 
• 5180-33-6 1,1-Diphenyl-propan-1-ol 
• 75-03-6 ethyl iodide 
• 34885-21-7 1,1-diphenyl-1-ethyl-propan-2-one 
• 15719-64-9 methylammonium carbonate 
• 79328-68-0 methyl 2,2-diphenylbutyrate 
• 544-16-1 n-Butyl nitrite 
• 5466-38-6 2,2-diphenyl-butyric acid amide 

Downstream Products

• 94911-65-6 2,2-diphenyl-butyric acid-(2-dimethylamino-ethyl ester); hydrochloride 
• 95292-65-2 2,2-diphenyl-butyric acid-(3-diethylamino-propyl ester); hydrochloride 
• 762298-28-2 2,2-DIPHENYL-N-(3-{4-[3-(PROPIONYLAMINO)PHENYL]-1-PIPERIDINYL}PROPYL)BUTANAMIDE 
• 762299-40-1 N-[3-(1-{3-[(2,2-DIPHENYLBUTANOYL)AMINO]PROPYL}4-PIPERIDINYL)PHENYL]CYCLOPROPANECARBOXAMIDE 
• 23659-71-4 3-Ethyl-2,3-dihydro-2-methyl-3-phenyl-1H-isoindol-1-one 
• 1227083-53-5 N-methyl-1,1-diphenylpropan-1-amine 
• 38445-36-2 N-methyl-2-methyl-3-phenylindole 
• 1418028-18-8 C₁₆H₁₄O₂ 
• 113181-88-7 2,2-diphenyl-butyric acid-(3-dimethylamino-1-methyl-propyl ester) 
• 110050-22-1 2,2-diphenyl-butyric acid-(3-dimethylamino-propyl ester) 
• 905-00-0 2,2-diphenyl-butyric acid-(2-diethylamino-ethyl ester) 
• 564450-51-7 2-diazo-3-oxo-4,4-diphenyl-hexanoic acid methyl ester 

Relevant articles and documents

Palladium(II)-Catalyzed C(sp2)-H Carbonylation of Sterically Hindered Amines with Carbon Monoxide

A palladium-catalyzed, amine-directed C(sp2)-H carbonylation of α,α-disubstituted benzylamine under 1 atm of CO for the facile synthesis of sterically hindered benzolactam has been developed. The key to success is the use of 2,2,6,6-tetramethyl-1-piperidinyloxy as the crucial sole oxidant. The synthetic utility of this transformation has been demonstrated by the first concise synthesis of the natural product spiropachysin-20-one.

Molecular Modification of Anticholinergics as Probes for Muscarinic Receptors. Amino Esters of α-Substituted Phenylacetic Acid and Related Analogues

Two series of compounds having the general structure of C6H5CRR'COOCH2CH2NEt2 were synthesized and examined for their antispasmodic activities.These compounds were selected as structural probes for exploring the nature of muscarinic cholinergic receptor binding sites that interact with atropine-like anticholinergics.These studies indicate a rather strict size limitation for the hydrophobic region of the receptor and suggest intramolecular hydrogen bonding as a possible means to explain the observed stereoselectivity.