2,2-Difluoroethylamine

Base Information

• Chemical Name: 2,2-Difluoroethylamine
• CAS No.: 430-67-1
• Molecular Formula: C2H5F2N
• Molecular Weight: 81.0652
• Hs Code.: 29211990
• European Community (EC) Number: 671-709-6
• UNII: LR6CDA8ZPD
• DSSTox Substance ID: DTXSID40195621
• Nikkaji Number: J2.514.066D
• Wikidata: Q83068626
• ChEMBL ID: CHEMBL1162281
• Mol file: 430-67-1.mol

Synonyms:2,2-Difluoroethylamine;430-67-1;2,2-difluoroethanamine;2,2-difluoroethan-1-amine;Ethanamine, 2,2-difluoro-;Ethylamine, 2,2-difluoro-;MFCD00798137;EC 671-709-6;CF2HCH2NH2;difluoroethylamine;2,2-difluorethylamine;2,2,-difluorethylamine;2,2-difluorethyl amine;LR6CDA8ZPD;2,2-difluoro-ethanamine;2,2-difluoro-ethylamine;2,2-difluoroethyl amine;2,2-difluoroethanaminium;2,2-di-fluoro-ethylamine;2,2-difluoro ethyl amine;2,2-difluoroethane-1-amine;2,2-bis(fluoranyl)ethanamine;CHEMBL1162281;AMY7132;DTXSID40195621;2,2-Difluoroethylamine, AldrichCPR;BBL104334;STK350465;AKOS000312685;SY013766;BB 0260215;D4758;FT-0676377;EN300-115962;O10557;A826136

Chemical Property of 2,2-Difluoroethylamine

Chemical Property:

• Vapor Pressure: 201mmHg at 25°C
• Refractive Index: 1.319
• Boiling Point: 59.4 °C at 760 mmHg
• PKA: 7.09±0.30(Predicted)
• PSA: 26.02000
• Density: 1.059 g/cm³
• LogP: 0.91050
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 81.03900549
• Heavy Atom Count: 5
• Complexity: 21.6

Purity/Quality:

99% min ^*data from raw suppliers

2,2-Difluoroethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

Useful:

• Canonical SMILES: C(C(F)F)N

Technology Process of 2,2-Difluoroethylamine

There total 8 articles about 2,2-Difluoroethylamine 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: 90.0%

1-chloro-2,2-difluoroethane (338-65-8) → 2,2-difluorethylamine (430-67-1)

Guidance literature:

With ammonium hydroxide; at 160 ℃; for 2h; under 22502.3 Torr; Temperature; Pressure; Large scale;

Reference yield: 84.0%

N-benzyl-2,2-difluoroethanamine (1184224-96-1) → 2,2-difluorethylamine (430-67-1)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In toluene; at 80 ℃; for 10h; under 4500.45 Torr; Inert atmosphere;

Reference yield: 82.0%

2-bromo-1,1-difluoroethane (359-07-9) → 2,2-difluorethylamine (430-67-1)

Guidance literature:

With ammonia; potassium iodide; In dimethyl sulfoxide; at 100 ℃; for 1h; Product distribution / selectivity; Autoclave;

upstream raw materials:

1-chloro-2,2-difluoroethane

2-bromo-1,1-difluoroethane

2,2-difluoroacetamide

(1R,2S,3R,4S)-3-(2,2-Difluoro-ethylcarbamoyl)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Downstream raw materials:

N-(2,2-difluoro-ethyl)-o-toluidine

Methyl phosphate anion

(E)-3-{4-[(2,2-difluoroethylamino)methyl]phenyl}acrylic acid methyl ester

Refernces

• 1、 Han, Xue,Qing, Feiyao,Zhang, Chengping,Jia, Xiaoqing,Quan, Hengdao. "Investigation on the preparation of 2,2-difluoroethylamine by amination of 1-halo-2,2-difluoroethane". . . Retrieved 2021.
• 2、 -. "Preparation of 2,2-difluoro-ethylamine method (by machine translation)". Paragraph 0024; 0025. . Retrieved 2017/03/14.