Methyl 3-(Trifluoromethyl)benzimidate Hydrochloride

Base Information

• Chemical Name: Methyl 3-(Trifluoromethyl)benzimidate Hydrochloride
• CAS No.: 56108-09-9
• Molecular Formula: C₉H₈F₃NO*ClH
• Molecular Weight: 239.625
• Hs Code.: 2924297099

Synonyms:Methyl 3-(Trifluoromethyl)benzimidate Hydrochloride;56108-09-9;Methyl3-(Trifluoromethyl)benzimidateHydrochloride;SCHEMBL1826392;KLCFCQSOUZFEOY-UHFFFAOYSA-N;AC6359;MFCD12031960;AKOS027256971;Methyl 3-(Trifluoromethyl)benzimidate HCl;SY028786;CS-0453610;A918088;methyl 3-(trifluoromethyl)benzenecarboximidate;hydrochloride

Chemical Property of Methyl 3-(Trifluoromethyl)benzimidate Hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 239.0324761
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

Methyl 3-(trifluoromethyl)benzimidate hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-(Trifluoromethyl)benzimidate Hydrochloride

There total 1 articles about Methyl 3-(Trifluoromethyl)benzimidate 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: 90.0%

methanol (67-56-1) + 3-trifluoromethylbenzonitrile (368-77-4) → methyl 3-(trifluoromethyl)benzimidate hydrochloride (56108-09-9)

Guidance literature:

With hydrogenchloride; at 20 - 40 ℃; for 6h;

Reference yield:

methyl 3-(trifluoromethyl)benzimidate hydrochloride (56108-09-9) → 3-(trifluoromethyl)-benzamidine hydrochloride (62980-03-4)

Guidance literature:

With ammonia; In ethanol; at 0 ℃; for 96h;

DOI:10.1021/jm00166a023

Reference yield:

methyl 3-(trifluoromethyl)benzimidate hydrochloride (56108-09-9) → ethyl-{2-[2-(3-trifluoromethyl-phenyl)-1H-imidazol-4-yl]-ethyl}-amine

Guidance literature:

Multi-step reaction with 3 steps

1: 77 percent / liq. NH₃ / a) RT, from 6 bar to 8 bar, 12 h, b) 60 deg C, from 25 bar to 27 bar, 6 h

2: SOCl₂ / 4 h / Heating

3: KI, K₂CO₃ / aq. ethanol / Heating

With thionyl chloride; ammonia; potassium carbonate; potassium iodide; In ethanol;

DOI:10.1016/S0960-894X(98)00461-2

upstream raw materials:

methanol

3-trifluoromethylbenzonitrile

Downstream raw materials:

3-(trifluoromethyl)-benzamidine hydrochloride

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