2-Hydroxy-1,2-diphenylpropan-1-one

Base Information

• Chemical Name: 2-Hydroxy-1,2-diphenylpropan-1-one
• CAS No.: 5623-26-7
• Molecular Formula: C15H14 O2
• Molecular Weight: 226.275
• NSC Number: 401759
• DSSTox Substance ID: DTXSID20322650
• Nikkaji Number: J1.348.442B
• ChEMBL ID: CHEMBL2137932
• Mol file: 5623-26-7.mol

Synonyms:2-hydroxy-1,2-diphenylpropan-1-one;5623-26-7;alpha-Methylbenzoin;ALPHA-HYDROXY-ALPHA-METHYLBENZYL PHENYL KETONE;2-hydroxy-1,2-diphenyl-1-propanone;MLS003171508;alpha-methyl-benzoin;NSC401759;SCHEMBL58021;CHEMBL2137932;DTXSID20322650;MFCD00051804;AKOS024318929;NSC 401759;NSC-401759;SMR001875393;FT-0622162;.alpha.-Hydroxy-.alpha.-methylbenzyl phenyl ketone;.alpha.-Hydroxy-.alpha.-methylbenzyl phenylketone;AD-266/41884765;alpha -Hydroxy- alpha -methylbenzyl phenyl ketone;EN300-18537023

Chemical Property of 2-Hydroxy-1,2-diphenylpropan-1-one

Chemical Property:

• Vapor Pressure: 3.15E-06mmHg at 25°C
• Melting Point: 66-67°C
• Boiling Point: 373.1°Cat760mmHg
• Flash Point: 159.3°C
• PSA: 37.30000
• Density: 1.151g/cm³
• LogP: 2.77700
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

ALPHA-HYDROXY-ALPHA-METHYLBENZYL PHENYL KETONE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-1,2-diphenylpropan-1-one

There total 31 articles about 2-Hydroxy-1,2-diphenylpropan-1-one 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: 99.0%

1,2-diphenylpropan-1-one (2042-85-5) → α-methylbenzoin (5623-26-7)

Guidance literature:

With Pd₂hpp4; 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; oxygen; In tetrahydrofuran; at 6 ℃; for 12h; under 760.051 Torr; regioselective reaction;

DOI:10.1021/ja108396k

Reference yield: 90.0%

1,2-diphenylpropan-1,2-diol (41728-16-9) → α-methylbenzoin (5623-26-7)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 30 ℃; for 0.5h;

DOI:10.1039/b618135j

Reference yield: 87.0%

methylmagnesium bromide (75-16-1) + benzil (134-81-6) → α-methylbenzoin (5623-26-7)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 0 - 25 ℃; for 3h; Inert atmosphere;

DOI:10.1002/anie.201611897

upstream raw materials:

Themisone

methyl magnesium iodide

benzil

methylmagnesium chloride

Downstream raw materials:

1,1,2-triphenylpropane-1,2-diol

α-Methyl-benzoin-allylether

1,2-diphenyl-2-(trimethylsilyloxy)propan-1-one

acetophenone

Refernces

• 1、 Jia, Kunfang,Pan, Yue,Chen, Yiyun. "Selective Carbonyl?C(sp3) Bond Cleavage To Construct Ynamides, Ynoates, and Ynones by Photoredox Catalysis". supporting information. p. 2478 - 2481. Retrieved 2017/02/23.
• 2、 Feurer, Markus,Frey, Georg,Luu, Hieu-Trinh,Kratzert, Daniel,Streuff, Jan. "The cross-selective titanium(III)-catalysed acyloin reaction". supporting information. p. 5370 - 5372. Retrieved 2014/05/06.