2,2-Diphenylbutyric acid

Base Information

• Chemical Name: 2,2-Diphenylbutyric acid
• CAS No.: 4226-57-7
• Molecular Formula: C16H16 O2
• Molecular Weight: 240.302
• Hs Code.: 2916399090
• European Community (EC) Number: 224-177-0
• NSC Number: 62706
• UNII: YCD2WX9B79
• DSSTox Substance ID: DTXSID90195095
• Nikkaji Number: J205.651H
• Wikidata: Q83067963
• Mol file: 4226-57-7.mol

Synonyms:2,2-Diphenylbutyric acid;2,2-diphenylbutanoic acid;4226-57-7;EINECS 224-177-0;NSC-62706;alpha-Ethyl-alpha-phenylbenzeneacetic acid;2,2-diphenylbutyricacid;NSC62706;Aethyldiphenylessigsaure;YCD2WX9B79;SCHEMBL396913;Butyric acid, 2,2-diphenyl-;DTXSID90195095;NSC 62706;AKOS024323253;FT-0609293;Benzeneacetic acid, alpha-ethyl-alpha-phenyl-

Chemical Property of 2,2-Diphenylbutyric acid

Chemical Property:

• Vapor Pressure: 0.000171mmHg at 25°C
• Boiling Point: 316.6°Cat760mmHg
• Flash Point: 159.5°C
• PSA: 37.30000
• Density: 1.123g/cm³
• LogP: 3.46730
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 240.115029749
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

2,2-DIPHENYLBUTYRIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O

Technology Process of 2,2-Diphenylbutyric acid

There total 15 articles about 2,2-Diphenylbutyric acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 64.0%

2,2-diphenyl-butyronitrile (5558-68-9) → 2,2-diphenylbutanoic acid (4226-57-7)

Guidance literature:

With sulfuric acid; at 150 ℃; for 48h;

DOI:10.1021/jm00385a008

Reference yield: 40.0%

2,2-diphenyl-butyraldehyde (105539-07-9) → 2,2-diphenylbutanoic acid (4226-57-7)

Guidance literature:

With potassium permanganate; sodium hydrogencarbonate; In water; Heating;

DOI:10.1021/jm00385a008

Reference yield:

ethyl bromide (74-96-4) + 2,2-diphenylacetic acid (117-34-0) → 2,2-diphenylbutanoic acid (4226-57-7)

Guidance literature:

2,2-diphenylacetic acid; With lithium diisopropyl amide; In tetrahydrofuran; at 0 - 45 ℃; for 1h; Inert atmosphere;

ethyl bromide; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.8b02856

upstream raw materials:

n-Butyl nitrite

2,2-diphenyl-butyric acid amide

2,2-diphenyl-butyronitrile

methyl 2,2-diphenylbutyrate

Downstream raw materials:

2,2-diphenyl-butyric acid-(2-dimethylamino-ethyl ester); hydrochloride

2,2-diphenyl-butyric acid-(3-diethylamino-propyl ester); hydrochloride

3-Ethyl-2,3-dihydro-2-methyl-3-phenyl-1H-isoindol-1-one

N-methyl-1,1-diphenylpropan-1-amine

Refernces

• 1、 Tsutsui, Hideyuki,Yamaguchi, Yukiko,Kitagaki, Shinji,Nakamura, Seiichi,Anada, Masahiro,Hashimoto, Shunichi. "Dirhodium(II) tetrakis[N-tetrafluorophthaloyl-(S)-tert-leucinate]: An exceptionally effective Rh(II) catalyst for enantiotopically selective aromatic C-H insertions of diazo ketoesters". . p. 817 - 821. Retrieved 2007/10/03.
• 2、 LARSEN,RUDDY,et al.. "Dialkyl-aminoalkyl esters of trisubstituted acetic acids.". . p. 532 - 532. Retrieved 2007/10/05.