Sodium chlorofluoroacetate

Base Information

• Chemical Name: Sodium chlorofluoroacetate
• CAS No.: 70395-35-6
• Molecular Formula: C2HClFNaO2
• Molecular Weight: 134.47
• Hs Code.: 2915400000
• European Community (EC) Number: 825-703-7
• DSSTox Substance ID: DTXSID80382078
• Mol file: 70395-35-6.mol

Synonyms:Sodium chlorofluoroacetate;70395-35-6;sodium 2-chloro-2-fluoroacetate;sodium;2-chloro-2-fluoroacetate;C2HClFNaO2;Sodiumchlorofluoroacetate;Sodium chloro(fluoro)acetate;SCHEMBL4273241;AMY7116;DTXSID80382078;MFCD01861160;AKOS006221876;FT-0693943;EN300-7415813

Chemical Property of Sodium chlorofluoroacetate

Chemical Property:

• Vapor Pressure: 1.14mmHg at 25°C
• Boiling Point: 162°C at 760 mmHg
• Flash Point: 58.6°C
• PSA: 40.13000
• LogP: -0.72930
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 133.9546794
• Heavy Atom Count: 7
• Complexity: 68.7

Purity/Quality:

98%Min ^*data from raw suppliers

SodiumChlorofluoroacetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)[O-])(F)Cl.[Na+]
• Uses: Sodium Chlorofluoroacetate can be prepared to use as IDH inhibitors for cancer, cell proliferative disorders and immune related disorders.

Technology Process of Sodium chlorofluoroacetate

There total 1 articles about Sodium chlorofluoroacetate 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:

ethyl chlorofluoroacetate (401-56-9,96290-79-8) → sodium chlorofluoroacetate (70395-35-6)

Guidance literature:

With sodium hydroxide;

Reference yield: 94.0%

4-pyridin-3-ylaniline (82261-42-5) + sodium chlorofluoroacetate (70395-35-6) → 2-chloro-2-fluoro-N-[4-(pyridin-3-yl)phenyl]acetamide

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine; In dichloromethane; ethyl acetate; at 0 - 20 ℃; for 1h;

DOI:10.1248/CPB.C20-00547

Reference yield: 93.0%

sodium chlorofluoroacetate (70395-35-6) + 2-phenoxyaniline (2688-84-8) → 2-chloro-2-fluoro-N-(2-phenoxyphenyl)acetamide

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine; In dichloromethane; ethyl acetate; at 0 - 20 ℃; for 1h;

DOI:10.1248/CPB.C20-00547

upstream raw materials:

ethyl chlorofluoroacetate

Downstream raw materials:

methyl 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylate

Refernces

• 1、 -. "Hydroxyquinazolines and their use as intermediates for pharmaceutical agents". . . Retrieved 2008/06/13.