(3-Chloro-5-(trifluoromethyl)phenyl)methanamine

Base Information

• Chemical Name: (3-Chloro-5-(trifluoromethyl)phenyl)methanamine
• CAS No.: 400771-41-7
• Molecular Formula: C8H7ClF3N
• Molecular Weight: 209.598
• Hs Code.: 2921490090
• European Community (EC) Number: 881-510-8
• DSSTox Substance ID: DTXSID60595124
• Wikidata: Q82490067
• Mol file: 400771-41-7.mol

Synonyms:400771-41-7;(3-Chloro-5-(trifluoromethyl)phenyl)methanamine;3-CHLORO-5-(TRIFLUOROMETHYL)BENZYLAMINE;3-CHLORO-5-TRIFLUOROMETHYL-BENZYLAMINE;[3-chloro-5-(trifluoromethyl)phenyl]methanamine;1-[3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]METHANAMINE;SCHEMBL5730059;DTXSID60595124;GCLAXYMPBCHQIK-UHFFFAOYSA-N;MFCD07786683;AKOS015920265;AB42928;JS-4533;DA-06164;N12333;EN300-1933596;A873470

Chemical Property of (3-Chloro-5-(trifluoromethyl)phenyl)methanamine

Chemical Property:

• Vapor Pressure: 0.27mmHg at 25°C
• Boiling Point: 204°C at 760 mmHg
• Flash Point: 77.2°C
• PSA: 26.02000
• Density: 1.353g/cm³
• LogP: 3.51780
• Sensitive.: Air Sensitive
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 209.0219114
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-5-(trifluoromethyl)benzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)Cl)CN
• Uses: 3-Chloro-5-(trifluoromethyl)benzylamine is used as an organic chemical synthesis intermediate.

Technology Process of (3-Chloro-5-(trifluoromethyl)phenyl)methanamine

There total 1 articles about (3-Chloro-5-(trifluoromethyl)phenyl)methanamine 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:

→ (3-chloro-5-(trifluoromethyl)phenyl)methanamine (400771-41-7)

Guidance literature:

Reference yield: 78.0%

(3-chloro-5-(trifluoromethyl)phenyl)methanamine (400771-41-7) + 2-Bromoacetyl bromide (598-21-0) → 2-bromo-N-(3-chloro-5-(trifluoromethyl)benzyl)acetamide

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 25 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bioorg.2020.103905

Reference yield: 59.0%

(3-chloro-5-(trifluoromethyl)phenyl)methanamine (400771-41-7) + (2S,5R)-2-cyclopropyl-5-[(3S)-4-(4-fluoro-3-methoxycarbonylphenyl)-3-methylpiperazin-1-yl]tetrahydropyran-2-carboxylic acid → methyl 5-[(2S)-4-[(3R,6S)-6-[[3-chloro-5-(trifluoromethyl)phenyl]methylcarbamoyl]-6-cyclopropyltetrahydropyran-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃;

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