4-Biphenylglyoxal hydrate

Base Information

• Chemical Name: 4-Biphenylglyoxal hydrate
• CAS No.: 1145-04-6
• Molecular Formula: C14H12O3
• Molecular Weight: 228.247
• Hs Code.: 2914400090
• DSSTox Substance ID: DTXSID10921398
• Nikkaji Number: J90.736G
• Wikidata: Q82894236
• Mol file: 1145-04-6.mol

Synonyms:4-Biphenylglyoxal hydrate;1145-04-6;1-([1,1'-Biphenyl]-4-yl)-2,2-dihydroxyethanone;2,2-dihydroxy-1-(4-phenylphenyl)ethanone;4-Diphenylglyoxal monohydrate;2,2-Dihydroxy-4'-phenylacetophenone;BRN 2559586;ACETOPHENONE, 2,2-DIHYDROXY-4'-PHENYL-;1-((1,1'-Biphenyl)-4-yl)-2,2-dihydroxyethanone;Ethanone,1-[1,1'-biphenyl]-4-yl-2,2-dihydroxy-;1-([1,1'-biphenyl]-4-yl)-2,2-dihydroxyethan-1-one;Ethanone, 1-((1,1'-biphenyl)-4-yl)-2,2-dihydroxy-;3-07-00-03828 (Beilstein Handbook Reference);Biphenylglyoxal hydrate;SCHEMBL1164038;DTXSID10921398;MFCD01673220;AKOS015919924;AS-30551;1-(biphenyl-4-yl)-2,2-dihydroxyethanone;4'-Phenyl-alpha,alpha-dihydroxyacetophenone;CS-0339262;FT-0656015;1-([1,1-Biphenyl]-4-yl)-2,2-dihydroxyethanone;A803192;[1,1'-Biphenyl]-4-acetaldehyde, a-oxo-, hydrate

Chemical Property of 4-Biphenylglyoxal hydrate

Chemical Property:

• Vapor Pressure: 4.48E-05mmHg at 25°C
• Melting Point: 113-117 °C
• Boiling Point: 393.1 °C at 760 mmHg
• PKA: 10.71±0.41(Predicted)
• Flash Point: 205.7 °C
• PSA: 57.53000
• Density: 1.256 g/cm³
• LogP: 1.84700
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Biphenylglyoxalhydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Biphenylglyoxal hydrate

There total 7 articles about 4-Biphenylglyoxal hydrate 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: 94.0%

1-Biphenyl-4-yl-2-methylsulfanyl-ethanone (46817-48-5) → 2-([1,1'-biphenyl]-4-yl)-2-oxoacetaldehyde monohydrate (1145-04-6)

Guidance literature:

With hydrogen bromide; dimethyl sulfoxide; at 55 ℃; for 2h;

DOI:10.1021/jo00225a004

Reference yield: 93.0%

1-([1,1′-biphenyl]-4-yl)-2-hydroxyethanone (37166-61-3) → 2-([1,1'-biphenyl]-4-yl)-2-oxoacetaldehyde monohydrate (1145-04-6)

Guidance literature:

With hydrogen bromide; dimethyl sulfoxide; at 55 ℃; for 0.5h;

DOI:10.1021/jo00225a004

Reference yield: 92.0%

2-Bromo-4'-phenylacetophenone (135-73-9) → 2-([1,1'-biphenyl]-4-yl)-2-oxoacetaldehyde monohydrate (1145-04-6)

Guidance literature:

With hydrogen bromide; dimethyl sulfoxide; at 55 ℃; for 1.5h;

DOI:10.1021/jo00225a004

upstream raw materials:

biphenyl-4-acetaldehyde

1-([1,1′-biphenyl]-4-yl)-2-hydroxyethanone

1‐([1,1'‐biphenyl]‐4‐yl)‐2,2‐dibromoethan‐1‐one

(2-([1,1'-biphenyl]-4-yl)-2-oxoethyl)dimethylsulfonium bromide

Downstream raw materials:

[1,1'-biphenyl]-4-yl(4-([1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)methanone

Refernces

• 1、 Wu, Wangbin,Zou, Sijia,Lin, Lili,Ji, Jie,Zhang, Yuheng,Ma, Baiwei,Liu, Xiaohua,Feng, Xiaoming. "Catalytic asymmetric Meerwein-Ponndorf-Verley reduction of glyoxylates induced by a chiral N,N′-dioxide/Y(OTf)3 complex". supporting information. p. 3232 - 3235. Retrieved 2017/03/20.
• 2、 Gao, Qing-He,Fei, Zhuan,Zhu, Yan-Ping,Lian, Mi,Jia, Feng-Cheng,Liu, Mei-Cai,She, Neng-Fang,Wu, An-Xin. "Metal-free dual sp3 C-H functionalization: I2- promoted domino oxidative cyclization to construct 2,5-disubstituted oxazoles". . p. 22 - 28. Retrieved 2013/01/15.