2,2-Difluoroacetamide

Base Information

• Chemical Name: 2,2-Difluoroacetamide
• CAS No.: 359-38-6
• Molecular Formula: C2H3F2NO
• Molecular Weight: 95.0487
• Hs Code.: 2924199090
• European Community (EC) Number: 818-090-2
• DSSTox Substance ID: DTXSID40382034
• Wikidata: Q82173316
• ChEMBL ID: CHEMBL156852
• Mol file: 359-38-6.mol

Synonyms:2,2-difluoroacetamide;359-38-6;Difluoroacetamide;Acetamide, 2,2-difluoro-;2,2-Difluoro-acetamide;CHEMBL156852;MFCD01896431;C2H3F2NO;3-carboxy-5-nitrobenzoic acid;DTXSID40382034;YMJDMVZTQVWJJQ-UHFFFAOYSA-N;ZMIBIIAWFMCVFD-UHFFFAOYSA-N;BDBM50226188;AKOS003269748;SB85512;CS-0109914;FT-0676809;D76959;EN300-181159;A874496;Z33546481

Chemical Property of 2,2-Difluoroacetamide

Chemical Property:

• Vapor Pressure: 0.0614mmHg at 25°C
• Melting Point: 51.8 °C
• Refractive Index: 1.333
• Boiling Point: 231.7 °C at 760 mmHg
• PKA: 13.16±0.50(Predicted)
• Flash Point: 93.9 °C
• PSA: 43.09000
• Density: 1.291g/cm³
• LogP: 0.43710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 95.01827004
• Heavy Atom Count: 6
• Complexity: 62.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2-Difluoroacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• 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)N)(F)F

Technology Process of 2,2-Difluoroacetamide

There total 7 articles about 2,2-Difluoroacetamide 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: 96.0%

ethyl difluoroacetate (454-31-9) → 2,2-difluoroacetamide (359-38-6)

Guidance literature:

With ammonia; In ethanol; at 0 - 25 ℃; for 2.5h;

Reference yield: 87.0%

dichloroacetamide (683-72-7) → 2,2-difluoroacetamide (359-38-6)

Guidance literature:

With potassium fluoride; In water; at 116 ℃; for 3h;

Reference yield: 65.0%

2-chloro-4,4-difluoroacetoacetic acid methyl ester → 2,2-difluoroacetamide (359-38-6) + 2-chloro-4,4-difluoro-3-aminocrotonic acid methyl ester

Guidance literature:

With ammonia; In diethyl ether; at -40 - -10 ℃;

DOI:10.1007/BF01142809

upstream raw materials:

ethyl difluoroacetate

bromodifluoroacetyl chloride

methyl 2,2-dibromo-3-oxo-4,4-difluorobutyrate

benzamide

Downstream raw materials:

2-(difluoromethyl)-1H-benzo[d]imidazole

2,2-difluoroethylamine hydrochloride

2,2-difluorethylamine

difluoroacetonitrile

Refernces

• 1、 -. "METHOD FOR PREPARING SUBSTITUTED HETEROCYCLIC COMPOUNDS". Page/Page column 14-15. . Retrieved 2019/12/15.
• 2、 Shainyan,Danilevich,Grigor'eva,Chuvashev. "Electrochemical fluorination of benzamide and acetanilide in anhydrous HF and in acetonitrile". . p. 513 - 517. Retrieved 2007/10/03.