2-Chloro-3-(trifluoromethyl)benzylamine

Base Information

• Chemical Name: 2-Chloro-3-(trifluoromethyl)benzylamine
• CAS No.: 39226-96-5
• Molecular Formula: C8H7ClF3N
• Molecular Weight: 209.598
• Hs Code.: 2921499090
• European Community (EC) Number: 679-303-0
• ChEMBL ID: CHEMBL274156
• DSSTox Substance ID: DTXSID70411306
• Nikkaji Number: J565.900K
• Wikidata: Q72460257
• Mol file: 39226-96-5.mol

Synonyms:39226-96-5;(2-chloro-3-(trifluoromethyl)phenyl)methanamine;2-CHLORO-3-(TRIFLUOROMETHYL)BENZYLAMINE;[2-chloro-3-(trifluoromethyl)phenyl]methanamine;2-Chloro-3-(trifluoromethyl)benzyl amine;MFCD04115990;1-[2-Chloro-3-(trifluoromethyl)phenyl]methanamine;Benzenemethanamine, 2-chloro-3-(trifluoromethyl)-;2-Chloro-3-trifluoromethyl-benzylamine;{[2-chloro-3-(trifluoromethyl)phenyl]methyl}amine;CHEMBL274156;SCHEMBL1635491;DTXSID70411306;2-chloro-3-trifluoromethylbenzylamine;2-chloro-3-trifluoromethyl benzylamine;AKOS015956698;AM83239;SB21979;DS-13722;SY053117;C2935;FT-0724209;A22454;[(2-chloro-3-trifluoromethylphenyl)methyl]amine;EN300-3088376;2-Chloro-3-(trifluoromethyl)benzylamine, AldrichCPR;J-500688

Chemical Property of 2-Chloro-3-(trifluoromethyl)benzylamine

Chemical Property:

• Melting Point: 35-38℃
• Boiling Point: 222.9 °C at 760 mmHg
• Flash Point: 88.6 °C
• PSA: 26.02000
• Density: 1.353 g/cm³
• LogP: 3.51780
• Storage Temp.: 0-10°C
• Sensitive.: Air Sensitive
• Solubility.: soluble in Methanol
• 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:

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

2-Chloro-3-(trifluoromethyl)benzylamine >95.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)C(F)(F)F)Cl)CN

Technology Process of 2-Chloro-3-(trifluoromethyl)benzylamine

There total 5 articles about 2-Chloro-3-(trifluoromethyl)benzylamine 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:

2-chloro-3-trifluoromethylbenzamide (39959-94-9) → 2-chloro-3-(trifluoromethyl)benzylamine (39226-96-5)

Guidance literature:

With borane;

DOI:10.1021/jm00260a003

Reference yield:

7-trifluoromethylisatin (391-12-8) → 2-chloro-3-(trifluoromethyl)benzylamine (39226-96-5)

Guidance literature:

Multi-step reaction with 4 steps

2: (i) NaNO₂, H₂SO₄, (ii) CuCl, aq. HCl

3: (i) (COCl)2, (ii) NH₃

4: BH₃

With borane;

DOI:10.1021/jm00260a003

Reference yield:

2-chloro-3-trifluoromethylbenzoic acid (39226-97-6) → 2-chloro-3-(trifluoromethyl)benzylamine (39226-96-5)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) (COCl)2, (ii) NH₃

2: BH₃

With borane;

DOI:10.1021/jm00260a003

upstream raw materials:

2-chloro-3-trifluoromethylbenzamide

7-trifluoromethylisatin

2-chloro-3-trifluoromethylbenzoic acid

2-amino-3-(trifluoromethyl)benzoic acid

Downstream raw materials:

{[2-chloro-3-(trifluoromethyl)phenyl]methyl}formamide

N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-(1-methylethyl)-5-oxoprolinamide

GS⁽⁸²¹⁾K₁₄₆₀

N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-5-oxo-1-(phenylmethyl)-D-prolinamide

Refernces

• 1、 -. "Process for producing trifluoromethylbenzylamines". . . Retrieved 2008/06/13.