(3,5-Bis(trifluoromethyl)phenyl)methanamine hydrochloride

Base Information

• Chemical Name: (3,5-Bis(trifluoromethyl)phenyl)methanamine hydrochloride
• CAS No.: 42365-62-8
• Molecular Formula: C₉H₇F₆N*ClH
• Molecular Weight: 279.613
• DSSTox Substance ID: DTXSID20595125
• Mol file: 42365-62-8.mol

Synonyms:42365-62-8;(3,5-bis(trifluoromethyl)phenyl)methanamine hydrochloride;3,5-Bis(trifluoromethyl)benzylaminehydrochloride;3,5-Bis(trifluoromethyl)benzylamine hydrochloride;(3,5-Bis(trifluoromethyl)phenyl)methanaminehydrochloride;[3,5-bis(trifluoromethyl)phenyl]methanamine;hydrochloride;1-[3,5-Bis(trifluoromethyl)phenyl]methanamine hydrochloride;3,5-Bis(trifluoromethyl)benzylamine, HCl;(3,5-Bis(trifluoromethyl)phenyl)-methanamine hydrochloride;[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHANAMINE HYDROCHLORIDE;3,5-Bis(trifluoromethyl)benzylamineHCl;SCHEMBL2898331;DTXSID20595125;MFCD03001701;AKOS015847605;AM61970;DS-1826;MB02546;3,5-Bis(trifluoromethyl)benzylamine HCl;DB-012577;CS-0170903;EN300-204753;3,5-bis(trifluoromethyl)-benzylamine hydrochloride;Q-102403;(3 pound not5-Bis(trifluoromethyl)phenyl)methanamine hydrochloride;Benzenemethanamine, 3,5-bis(trifluoromethyl)-, hydrochloride (1:1);1-[3,5-Bis(trifluoromethyl)phenyl]methanamine--hydrogen chloride (1/1)

Chemical Property of (3,5-Bis(trifluoromethyl)phenyl)methanamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.176mmHg at 25°C
• Melting Point: 50-55 °C(lit.)
• Boiling Point: 208.6 °C at 760 mmHg
• Flash Point: 80 °C
• PSA: 26.02000
• LogP: 4.68520
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 279.0249459
• Heavy Atom Count: 17
• Complexity: 211

Purity/Quality:

97% ^*data from raw suppliers

(3,5-Bis(trifluoromethyl)phenyl)methanamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN.Cl

Technology Process of (3,5-Bis(trifluoromethyl)phenyl)methanamine hydrochloride

There total 4 articles about (3,5-Bis(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: 92.0%

C16H11F6N → [3,5-bis(trifluoromethyl)phenyl]methanamine hydrochloride (42365-62-8)

Guidance literature:

C₁₆H₁₁F₆N; With triethylamine; In acetonitrile; at 75 ℃; for 6h;

With hydrogenchloride; In methanol; at 40 ℃; for 24h; Further stages.;

DOI:10.1016/j.jfluchem.2006.03.013

Reference yield:

3,5-Bis(trifluoromethyl)benzamide (22227-26-5) → 3,5-bis(trifluoromethyl)benzonitrile (27126-93-8) + [3,5-bis(trifluoromethyl)phenyl]methanamine hydrochloride (42365-62-8)

Guidance literature:

3,5-Bis(trifluoromethyl)benzamide; With phenylsilane; C₃₆H₄₈F₆N₆NiO₅S₂; In toluene; at 110 ℃; for 12h; Inert atmosphere; Schlenk technique;

With hydrogenchloride; In diethyl ether; Overall yield = 68 percent; Overall yield = 85 percentChromat.;

DOI:10.1039/d1cc03537a

Reference yield:

3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride (785-56-8) → 3,5-bis(trifluoromethyl)benzonitrile (27126-93-8) + [3,5-bis(trifluoromethyl)phenyl]methanamine hydrochloride (42365-62-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium hydroxide / dichloromethane / 3 h / 20 °C

2: C₃₆H₄₈F₆N₆NiO₅S₂; phenylsilane / toluene / 12 h / 110 °C / Inert atmosphere; Schlenk technique

With ammonium hydroxide; phenylsilane; C₃₆H₄₈F₆N₆NiO₅S₂; In dichloromethane; toluene;

DOI:10.1039/d1cc03537a

upstream raw materials:

3,5-Bis(trifluoromethyl)benzaldehyde

3,5-Bis(trifluoromethyl)benzamide

3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride

Downstream raw materials:

N-[3,5-Bis(trifluoromethyl)benzyl]-5-(4-fluorophenyl)-7,8-dihydro-7-methyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide