2,2-Difluoroethylamine hydrochloride

Base Information

• Chemical Name: 2,2-Difluoroethylamine hydrochloride
• CAS No.: 79667-91-7
• Molecular Formula: C2H5 F2 N . Cl H
• Molecular Weight: 117.526
• Hs Code.: 2921199090
• European Community (EC) Number: 810-381-2
• DSSTox Substance ID: DTXSID10593019
• Mol file: 79667-91-7.mol

Synonyms:79667-91-7;2,2-Difluoroethylamine hydrochloride;2,2-difluoroethanamine hydrochloride;C2H6ClF2N;2,2-difluoroethanamine;hydrochloride;2,2-difluoroethan-1-amine hydrochloride;MFCD04038283;2,2-Difluoroethanamine HCl;2,2-Difluoroethanamine, HCl;Ethanamine, 2,2-difluoro-, hydrochloride;difluoroethylamine hydrochloride;SCHEMBL1031409;DTXSID10593019;2,2-difluoroethanaminehydrochloride;BCP34612;2,2-Difluoro-ethylamine hydrochloride;AKOS007930501;SB75561;1-Amino-2,2-difluoroethane hydrochloride;BS-17593;SY029656;CS-0121259;EN300-96615;2,2-difluoroethylamine hydrochloride, AldrichCPR;A839733;2,2-Difluoroethan-1-amine--hydrogen chloride (1/1);Z1295543893

Chemical Property of 2,2-Difluoroethylamine hydrochloride

Chemical Property:

• Melting Point: 132-137°C (w/decomp)
• PSA: 26.02000
• LogP: 1.71250
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 117.0156832
• Heavy Atom Count: 6
• Complexity: 21.6

Purity/Quality:

98%, ^*data from raw suppliers

2,2-difluoroethylamine hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 36/37/38-52-41-37/38-25
• Safety Statements: 26-36/37/39-45-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(F)F)N.Cl
• Uses: As a fluorinated aliphatic amine, 2,2-Difluoroethylamine hydrochloride can be used in preparation of wide range of pharmaceutical compounds including anti-tumor agents. 2,2-Difluoroethylamine hydrochloride was recently reported to be used as a precursor for the "elusive" difluoromethyl diazomethane species (CF2HCHN2). The difluoromethyl diazomethane intermediate can be generated in situ in the presence of tert-butyl nitrite and a catalytic amount of acetic acid.

Technology Process of 2,2-Difluoroethylamine hydrochloride

There total 5 articles about 2,2-Difluoroethylamine hydrochloride 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: 95.0%

2,2-Difluornitroethan (93696-69-6) → 2,2-difluoroethylamine hydrochloride (79667-91-7)

Guidance literature:

With hydrogenchloride; hydrogen; platinum(IV) oxide; In methanol; water; at 20 ℃; for 7h; under 15001.5 Torr; Product distribution / selectivity;

Reference yield: 91.1%

monoacetyl-2,2-difluoroethylamine (1310429-33-4) → 2,2-difluoroethylamine hydrochloride (79667-91-7)

Guidance literature:

With hydrogenchloride; water; at 90 ℃; for 1h;

Reference yield: 48.0%

2,2-difluoroacetamide (359-38-6) → 2,2-difluoroethylamine hydrochloride (79667-91-7)

Guidance literature:

With hydrogenchloride; diborane; 1) THF, 5-10 deg C, 3 h, 2) THF, EtOH;

DOI:10.1021/jm00125a006

upstream raw materials:

2,2-difluoroacetamide

2,2-Difluornitroethan

monoacetyl-2,2-difluoroethylamine

N-(2,2-difluoro-ethyl)-phthalimide

Downstream raw materials:

tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate

Refernces

• 1、 -. "Process for Preparing 2,2-difluoroethylamine by Hydrogenating 1,1-difluoro-2-nitroethane". Page/Page column 3. . Retrieved 2011/04/24.
• 2、 Donetti,Cereda,Ezhaya,Micheletti. "N-(Fluoroethyl)(imidazolylphenyl)formamidines. The issue of the active species of mifentidine". . p. 957 - 961. Retrieved 2007/10/02.