(2-Fluoro-6-(trifluoromethyl)phenyl)methanamine hydrochloride

Base Information

• Chemical Name: (2-Fluoro-6-(trifluoromethyl)phenyl)methanamine hydrochloride
• CAS No.: 643088-07-7
• Molecular Formula: C₈H₇F₄N*ClH
• Molecular Weight: 229.605
• Hs Code.: 2921490090
• DSSTox Substance ID: DTXSID50695960
• Mol file: 643088-07-7.mol

Synonyms:643088-07-7;(2-Fluoro-6-(trifluoromethyl)phenyl)methanamine hydrochloride;2-FLUORO-6-TRIFLUOROMETHYL-BENZYLAMINE HYDROCHLORIDE;2-Fluoro-6-(trifluoromethyl)benzylamine HCl;2-Fluoro-6-(trifluoromethyl)benzylamine hydrochloride;[2-fluoro-6-(trifluoromethyl)phenyl]methanamine;hydrochloride;[2-fluoro-6-(trifluoromethyl)phenyl]methanamine hydrochloride;DTXSID50695960;YSYBSZNUTHPMGA-UHFFFAOYSA-N;AMY27910;MFCD08437622;AKOS024258441;DS-8884;SB38104;CS-0047531;C76014;A901204;(2-FLUORO-6-(TRIFLUOROMETHYL)PHENYL)METHANAMINE HCL;(2-Fluoro-6-(trifluoromethyl)phenyl)methanaminehydrochloride;(2-Fluoro-6-(trifluoromethyl)phenyl)-methanamine hydrochloride;2-Fluoro-6-trifluoromethyl-benzylamine hydrochloride, AldrichCPR;1-[2-Fluoro-6-(trifluoromethyl)phenyl]methanamine--hydrogen chloride (1/1)

Chemical Property of (2-Fluoro-6-(trifluoromethyl)phenyl)methanamine hydrochloride

Chemical Property:

• PSA: 26.02000
• LogP: 3.80550
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 229.0281396
• Heavy Atom Count: 14
• Complexity: 168

Purity/Quality:

99.3% ^*data from raw suppliers

(2-Fluoro-6-(trifluoromethyl)phenyl)methanaminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Fluoro-6-(trifluoromethyl)phenyl)methanamine hydrochloride

There total 4 articles about (2-Fluoro-6-(trifluoromethyl)phenyl)methanamine 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: 87.0%

tert-butyl (2-fluoro-6-(trifluoromethyl)benzyl)carbamate → 2-fluoro-6-(trifluoromethyl)benzylamine hydrochloride (643088-07-7)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 30 - 40 ℃; for 3h;

Reference yield:

3-fluoro-trifluoromethylbenzene (401-80-9) → 2-fluoro-6-(trifluoromethyl)benzylamine hydrochloride (643088-07-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: N,N,N,N,-tetramethylethylenediamine; diisopropylamine; n-butyllithium / tetrahydrofuran; hexane / 1 h / -78 - -60 °C / Inert atmosphere

1.2: 0.5 h

2.1: hydroxylamine hydrochloride; sodium hydrogencarbonate / 1 h / 15 - 25 °C / Large scale

3.1: hydrogen / methanol / 20 - 40 °C / Large scale

4.1: hydrogenchloride / ethanol / Large scale

With hydrogenchloride; n-butyllithium; N,N,N,N,-tetramethylethylenediamine; hydroxylamine hydrochloride; hydrogen; sodium hydrogencarbonate; diisopropylamine; In tetrahydrofuran; methanol; ethanol; hexane;

Reference yield:

2-fluoro-6-(trifluoromethyl)benzaldehyde (60611-24-7) → 2-fluoro-6-(trifluoromethyl)benzylamine hydrochloride (643088-07-7)

Guidance literature:

Multi-step reaction with 3 steps

1: hydroxylamine hydrochloride; sodium hydrogencarbonate / 1 h / 15 - 25 °C / Large scale

2: hydrogen / methanol / 20 - 40 °C / Large scale

3: hydrogenchloride / ethanol / Large scale

With hydrogenchloride; hydroxylamine hydrochloride; hydrogen; sodium hydrogencarbonate; In methanol; ethanol;

upstream raw materials:

3-fluoro-trifluoromethylbenzene

2-fluoro-6-(trifluoromethyl)benzaldehyde

2-fluoro-6-(trifluoromethyl)benzaldehyde oxime

Refernces

• 1、 -. "[...] and its sodium salt intermediate and its salt preparation method and application (by machine translation)". Paragraph 0036-0037. . Retrieved 2019/05/06.