Phenylacetyl bromide

Base Information

• Chemical Name: Phenylacetyl bromide
• CAS No.: 22535-03-1
• Molecular Formula: C8H7 Br O
• Molecular Weight: 199.047
• Hs Code.: 2916399090
• European Community (EC) Number: 245-060-0
• DSSTox Substance ID: DTXSID30177052
• Nikkaji Number: J286.236K
• Wikidata: Q83047373
• Mol file: 22535-03-1.mol

Synonyms:Phenylacetyl bromide;2-phenylacetyl bromide;22535-03-1;EINECS 245-060-0;phenacetyl bromide;phenylacetylbromide;Benzeneacetic acid bromide;SCHEMBL2186535;DTXSID30177052;AKOS006272488

Chemical Property of Phenylacetyl bromide

Chemical Property:

• Vapor Pressure: 0.0493mmHg at 25°C
• Boiling Point: 235.7°Cat760mmHg
• Flash Point: 86.9°C
• PSA: 17.07000
• Density: 1.501g/cm³
• LogP: 2.15060
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.96803
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenylacetyl bromide

There total 7 articles about Phenylacetyl bromide 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:

phenylacetaldehyde (122-78-1) → phenylacetyl bromide (22535-03-1)

Guidance literature:

With bromine; In dichloromethane;

DOI:10.1016/j.ejmech.2013.11.007

Reference yield:

Oxalyl bromide (15219-34-8) + sodium phenylacetate (114-70-5) → phenylacetyl bromide (22535-03-1)

Guidance literature:

With benzene;

Reference yield:

trans-[(phenylacetyl)bis(triphenylphosphine)palladium(II)(Cl)] → phenylacetyl bromide (22535-03-1)

Guidance literature:

With bromine; In dichloromethane; byproducts: (P(C6H5)3)2PdClBr; addition of Br2 to Pd(P(C6H5)3)2(C6H5CH2CO)Cl in CH2Cl2; determination : IR;

DOI:10.1021/om00109a007

upstream raw materials:

Oxalyl bromide

sodium phenylacetate

phenylacetic acid

tert-butyldimethylsilyl 2-phenylethanoate

Downstream raw materials:

tert-butyl (S)-2-(4-phenylthiazol-2-yl)pyrrolidine-1-carboxylate

α(2'-Carbmethoxy-phenylmercapto)-acetophenon

2-((1-(2-phenylacetyl)piperidin-4-yl)methyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino [1,2-b]indazol-1-one

2-((1-(2-phenylacetyl)piperidin-4-yl)methyl)-3,4-dihydropyrazino[1,2-b]indazol-1(2H)-one

Refernces

• 1、 Kubota, Mitsuru,Boegeman, Scott C.,Keil, Robert N.,Webb, Carl G.. "Formation of carboxylic acid halides by the reactions of halogens with acetyl-, (phenylacetyl)-, and benzoylchlorobis(triphenylphosphine)platinum(II) and acetyl-, (phenylacetyl)-, and benzoylchloro(triphenylphosphine)palladium(II) complexes". . p. 1616 - 1620. Retrieved 2008/10/08.