Bromodifluoroacetyl chloride

Base Information

• Chemical Name: Bromodifluoroacetyl chloride
• CAS No.: 3832-48-2
• Molecular Formula: C2BrClF2O
• Molecular Weight: 193.375
• Hs Code.: 29161900
• European Community (EC) Number: 671-811-0
• DSSTox Substance ID: DTXSID90334487
• Nikkaji Number: J2.470.696F
• Wikipedia: Bromodifluoroacetyl_chloride
• Wikidata: Q4973729
• Mol file: 3832-48-2.mol

Synonyms:Bromodifluoroacetyl chloride;3832-48-2;2-bromo-2,2-difluoroacetyl chloride;bromo(difluoro)acetyl chloride;Bromodifluoroacetylchloride;MFCD00069081;BIS(2-BroMobenzyl)aMine;bromodifluoroacetic chloride;SCHEMBL1161314;DTXSID90334487;AKOS005173358;2-Bromo-2,2-difluoroethanoyl chloride;FS-4964;FT-0623242;2-bromanyl-2,2-bis(fluoranyl)ethanoyl chloride;EN300-7268228;A824108;Q4973729

Chemical Property of Bromodifluoroacetyl chloride

Chemical Property:

• Vapor Pressure: 229mmHg at 25°C
• Refractive Index: 1.3853
• Boiling Point: 56.2 °C at 760 mmHg
• PSA: 17.07000
• Density: 2.053 g/cm³
• LogP: 1.73950
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.87891
• Heavy Atom Count: 7
• Complexity: 93.7

Purity/Quality:

98% ^*data from raw suppliers

BromodifluoroacetylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(F)(F)Br)Cl
• Uses: Bromodifluoroacetyl Chloride is used in preparation of Haloalkyl Acid Halide. Also, used in preparation of 3-Pyridinyl substituted Triazolopyrazines, Triazolopyridazines, and Triazolopyridines as ion channel modulators.

Technology Process of Bromodifluoroacetyl chloride

There total 8 articles about Bromodifluoroacetyl 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: 99.1%

1,2-dibromo-1,1-difluoroethane (75-82-1) → bromodifluoroacetyl chloride (3832-48-2)

Guidance literature:

With oxygen; chlorine; at 150 ℃; under 1500.15 Torr; Pressure; Temperature; UV-irradiation;

Reference yield:

bromodifluoroacetic acid (354-08-5) → bromodifluoroacetyl chloride (3832-48-2)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 21 ℃; Inert atmosphere;

DOI:10.1021/ol402780k

Reference yield:

1,2-dibromo-1,1-dichloro-2,2-difluoroethane (558-57-6) → bromodifluoroacetyl chloride (3832-48-2)

Guidance literature:

With oxygen; chlorine; at 80 ℃; for 0.0833333h; under 750.075 Torr; Temperature; Pressure; Reagent/catalyst; UV-irradiation;

upstream raw materials:

Methyl-(1,2-dibrom-1,2,2-trifluoraethyl)-aether

bromodifluoroacetic acid

1,1-difluoro-1,2,2-tribromo-2-chloroethane

1,2-dibromo-1,1-dichloro-2,2-difluoroethane

Downstream raw materials:

4-[(2-bromo-2,2-difluoroacetyl)-(2-iodophenyl)amino]piperidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 Yang, Jin,Sun, Bin,Ding, Hao,Huang, Pan-Yi,Tang, Xiao-Li,Shi, Rong-Cheng,Yan, Zhi-Yang,Yu, Chuan-Ming,Jin, Can. "Photo-triggered self-catalyzed fluoroalkylation/cyclization of unactivated alkenes: Synthesis of quinazolinones containing the CF2R group". supporting information. p. 575 - 581. Retrieved 2021/01/28.
• 2、 -. "ION CHANNEL MODULATORS". Paragraph 0409; 0415; 0418; 0423; 0447; 0453; 0476; 0481. . Retrieved 2021/06/11.