1-[3-Chloro-4-(trifluoromethoxy)phenyl]methanamine

Base Information

• Chemical Name: 1-[3-Chloro-4-(trifluoromethoxy)phenyl]methanamine
• CAS No.: 771581-60-3
• Molecular Formula: C8H7ClF3NO
• Molecular Weight: 225.598
• DSSTox Substance ID: DTXSID50696836
• Wikidata: Q27455475
• Mol file: 771581-60-3.mol

Synonyms:771581-60-3;(3-CHLORO-4-(TRIFLUOROMETHOXY)PHENYL)METHANAMINE;1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine;3-CHLORO-4-(TRIFLUOROMETHOXY)BENZYLAMINE;[3-chloro-4-(trifluoromethoxy)phenyl]methanamine;SCHEMBL3118077;DTXSID50696836;OVFDZNSGNUXERC-UHFFFAOYSA-N;WFB58160;MFCD06212980;AKOS015956566;JS-4851;SB80261;CS-0083344;F86566;EN300-1933390;Q27455475;54Z

Chemical Property of 1-[3-Chloro-4-(trifluoromethoxy)phenyl]methanamine

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 225.0168260
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CN)Cl)OC(F)(F)F

Technology Process of 1-[3-Chloro-4-(trifluoromethoxy)phenyl]methanamine

There total 2 articles about 1-[3-Chloro-4-(trifluoromethoxy)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:

4-(bromomethyl)-2-chlorophenyl trifluoromethyl ether (261763-18-2) → 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine (771581-60-3)

Guidance literature:

4-(bromomethyl)-2-chlorophenyl trifluoromethyl ether; With phthalimide; potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 5h;

With water; methylamine; at 100 ℃; for 11h; Autoclave;

Reference yield:

3-chloro-4-(trifluoromethoxy)benzonitrile (129604-26-8) → 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine (771581-60-3)

Guidance literature:

3-chloro-4-(trifluoromethoxy)benzonitrile; With borane-THF; for 2h; Reflux; Inert atmosphere;

With hydrogenchloride; methanol; In water; for 7h; Reflux;

With potassium carbonate; In water; at 20 ℃;

Reference yield: 37.0%

1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine (771581-60-3) + 2-acetyl-10-chloro-1,2,3,4-tetrahydrobenzo[b][1,6]-naphthyridine-8-carbonitrile (1448419-29-1) → 2-acetyl-10-[3-chloro-4-(trifluoromethoxy)benzyl]amino-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-8-carbonitrile

Guidance literature:

With triethylamine; sodium iodide; In 1-methyl-pyrrolidin-2-one; at 130 ℃; for 24h;

upstream raw materials:

3-chloro-4-(trifluoromethoxy)benzonitrile

4-(bromomethyl)-2-chlorophenyl trifluoromethyl ether

Downstream raw materials:

N-[3-chloro-4-(trifluoromethoxy)benzyl]-3-fluoro-4-[(1,3-thiazol-2-ylamino)sulfonyl]benzamide

Refernces

• 1、 -. "BENZAMIDE DERIVATIVES". Page/Page column 75. . Retrieved 2010/04/27.