4-(chloromethyl)-3-fluoro-benzoyl Chloride

Base Information

Chemical Name:4-(chloromethyl)-3-fluoro-benzoyl Chloride
CAS No.:200418-17-3
Molecular Formula:C8H5Cl2FO
Molecular Weight:207.0291032
Hs Code.:
DSSTox Substance ID:DTXSID70444356
Wikidata:Q82262478
Mol file:200418-17-3.mol

Synonyms:200418-17-3;4-(chloromethyl)-3-fluoro-benzoyl Chloride;4-(Chloromethyl)-3-fluorobenzoyl chloride;SCHEMBL3049461;DTXSID70444356;FT-0686808;Benzoyl chloride, 4-(chloromethyl)-3-fluoro-;Benzoyl chloride,4-(chloromethyl)-3-fluoro-(9ci)

Suppliers and Price of 4-(chloromethyl)-3-fluoro-benzoyl Chloride

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 9 raw suppliers

Chemical Property of 4-(chloromethyl)-3-fluoro-benzoyl Chloride

Chemical Property:

PSA：17.07000
LogP:2.94350
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:205.9701483
Heavy Atom Count:12
Complexity:174

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=C1C(=O)Cl)F)CCl

Technology Process of 4-(chloromethyl)-3-fluoro-benzoyl Chloride

There total 2 articles about 4-(chloromethyl)-3-fluoro-benzoyl Chloride 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:

: 59189-97-8
3-fluoro-4-methylbenzoic acid chloride

: 200418-17-3
4-Chloromethyl-3-fluoro-benzoyl chloride

Guidance literature:: With sulfuryl dichloride; Perbenzoic acid; In benzene; for 2.5h; Heating;
DOI:10.1021/jm970389+

Reference yield:

: 350-28-7
3-fluoro-4-methyl-benzoic acid

: 200418-17-3
4-Chloromethyl-3-fluoro-benzoyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: oxalyl chloride, DMF / tetrahydrofuran / 0.5 h / Heating

2: sulfuryl chloride, benzoyl peroxide / benzene / 2.5 h / Heating

With sulfuryl dichloride; Perbenzoic acid; oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; benzene;
DOI:10.1021/jm970389+

Reference yield:

: 200418-17-3
4-Chloromethyl-3-fluoro-benzoyl chloride

: 3-{4-[(3-Amino-pyridin-4-ylamino)-methyl]-3-fluoro-benzoyl}-4-bromo-indole-1-carboxylic acid dimethylamide

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) AlCl₃ / 1.) CH₂Cl₂, RT, 10 min, 2.) CH₂Cl₂, RT, 2.5 h

2: 16.0 g / NaN₃ / dimethylformamide / 3 h / Ambient temperature

3: 13.59 g / H₂O, PPh₃ / tetrahydrofuran / 16 h / Ambient temperature

4: 12.14 g / Et₃N / acetonitrile / a) RT, 30 min, b) 60 deg C, 2 h

5: H₂ / 5percent Pt/C / tetrahydrofuran / 18 h / 3040 Torr / Ambient temperature

With aluminium trichloride; sodium azide; water; hydrogen; triethylamine; triphenylphosphine; platinum on activated charcoal; In tetrahydrofuran; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm970389+