2-Bromo-2-phenylacetaldehyde

Base Information

• Chemical Name: 2-Bromo-2-phenylacetaldehyde
• CAS No.: 16927-13-2
• Molecular Formula: C8H7BrO
• Molecular Weight: 199.047
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID90447228
• Nikkaji Number: J432.910D
• Mol file: 16927-13-2.mol

Synonyms:2-Bromo-2-phenylacetaldehyde;16927-13-2;bromophenylacetaldehyde;MFCD14155849;bromo-phenylacetaldehyde;2-Bromo-2-phenylethanal;Bromo-Phenyl-Acetaldehyde;2-bromo-2-phenyl-ethanone;alpha-bromophenylacetaldehyde;2-bromo-2-phenylacetoaldehyde;SCHEMBL688950;DTXSID90447228;LOUZEJGRHQDABV-UHFFFAOYSA-N;alpha-bromo-alpha-phenylacetaldehyde;alpha-bromo-alpha-phenyl-acetaldehyde;AKOS016007970;SY277929;FT-0740739;F13390

Chemical Property of 2-Bromo-2-phenylacetaldehyde

Chemical Property:

• PSA: 17.07000
• LogP: 2.32150
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.96803
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-2-phenylacetaldehyde

There total 12 articles about 2-Bromo-2-phenylacetaldehyde 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: 100.0%

phenylacetaldehyde (122-78-1) → α-bromophenylacetaldehyde (16927-13-2)

Guidance literature:

With bromine; In 1,4-dioxane; at 0 - 20 ℃; for 0.583333h;

Reference yield: 71.0%

styrene oxide (96-09-3) → α-bromophenylacetaldehyde (16927-13-2)

Guidance literature:

With dimethylsulfide; bromine; In dichloromethane; at -10 ℃; for 3h;

Reference yield:

2-bromo-1,1-dimethoxy-2-phenylethane (14371-25-6) → α-bromophenylacetaldehyde (16927-13-2)

Guidance literature:

With hydrogen bromide; In water; at 105 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1016/j.bmcl.2010.05.096

upstream raw materials:

cis-β-methoxystyrene

phenylacetaldehyde

2-phenyl-1-(phenylsulfonyl)-1,2-epoxyethane

1-(2-methoxyvinyl)benzene

Downstream raw materials:

5-phenylthiazole

4-Formyl-4-phenylbutan-2-one

4-Methyl-3-phenyl-morpholin-2-ol; hydrochloride

trans-1,2,5-triphenyl-4-hydroxy-4,5-dihydro-1H-imidazole

Refernces

• 1、 Furet, Pascal,Bold, Guido,Meyer, Thomas,Roesel, Johannes,Guagnano, Vito. "Aromatic interactions with phenylalanine 691 and cysteine 828: A concept for FMS-like tyrosine kinase-3 inhibition. Application to the discovery of a new class of potential antileukemia agents". . p. 4451 - 4454. Retrieved 2006.
• 2、 Xu, Xiufeng,Peng,Wang, Junjie,Xu, Fengrong,Liang, Lei,Wang, Chao,Niu, Yan,Xu, Ping. "Design, synthesis, and biological evaluation of 4-aminopyrimidine or 4,6-diaminopyrimidine derivatives as beta amyloid cleaving enzyme-1 inhibitors". . p. 926 - 933. Retrieved 2019/02/19.
• 3、 -. "SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF". Paragraph 01089; 01132. . Retrieved 2018/08/03.