Benzyl-(2,2,2-trifluoro-ethyl)-amine

Base Information

• Chemical Name: Benzyl-(2,2,2-trifluoro-ethyl)-amine
• CAS No.: 85963-50-4
• Molecular Formula: C₉H₁₀F₃N
• Molecular Weight: 189.18
• DSSTox Substance ID: DTXSID10407026
• Nikkaji Number: J3.061.745B
• Wikidata: Q82212234
• Mol file: 85963-50-4.mol

Synonyms:N-benzyl-2,2,2-trifluoroethanamine;85963-50-4;Benzyl-(2,2,2-trifluoro-ethyl)-amine;benzyl(2,2,2-trifluoroethyl)amine;N-Benzyl-2,2,2-trifluoroethan-1-amine;HMS1749A10;SCHEMBL550153;AMY6108;DTXSID10407026;VESAIDYCLWTAAV-UHFFFAOYSA-N;MFCD02689998;benzyl-(2,2,2-trifluorethyl)-amine;AKOS000201274;benzyl-(2,2,2-trifluoroethyl)-amine;N-(2,2,2-Trifluoroethyl)benzylamine;BS-13747;BB 0241730;CS-0069655;EN300-13029;E89291

Chemical Property of Benzyl-(2,2,2-trifluoro-ethyl)-amine

Chemical Property:

• PSA: 12.03000
• LogP: 2.72940
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 189.07653381
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

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

N-benzyl-2,2,2-trifluoroethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCC(F)(F)F

Technology Process of Benzyl-(2,2,2-trifluoro-ethyl)-amine

There total 7 articles about Benzyl-(2,2,2-trifluoro-ethyl)-amine 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: 88.0%

trifluoroethylamine (753-90-2) + benzyl alcohol (100-51-6,185532-71-2) → N-benzyl-2,2,2-trifluoroethylamine hydrochloride (85963-50-4)

Guidance literature:

In o-xylene; at 150 ℃; for 30h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.jcat.2019.12.012

Reference yield: 65.0%

2,2,2-trifluoroethyl trifluoromethanesulphonate (6226-25-1) + benzylamine (100-46-9) → N-benzyl-2,2,2-trifluoroethylamine hydrochloride (85963-50-4)

Guidance literature:

In xylene; Reflux;

Reference yield: 63.0%

2-(benzylamino)-1,1,1-trifluoro-3-nitropropane → 2-(N-benzylamino)-3,3,3-trifluoropropane-1-amine hydrochloride (1247247-05-7) + N-benzyl-2,2,2-trifluoroethylamine hydrochloride (85963-50-4)

Guidance literature:

2-(benzylamino)-1,1,1-trifluoro-3-nitropropane; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 4.5h; Reflux;

With water; potassium hydroxide; In tetrahydrofuran; at 0 ℃;

With hydrogenchloride; In benzene; at 15 ℃;

DOI:10.1007/s11172-009-0257-2

upstream raw materials:

ethylmagnesium bromide

N-(2,2,2-trifluoro-ethylidene)benzylamine

2,2,2-trifluoroethyl trifluoromethanesulphonate

benzylamine

Downstream raw materials:

6-[4-(7-methoxy-2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidin-1-yl]-pyrimidine-4-carboxylic acid benzyl-(2,2,2-trifluorethyl)-amide

C₁₁H₁₁ClF₃NO

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