O-(2-(Trifluoromethyl)benzyl)hydroxylamine hydrochloride

Base Information

• Chemical Name: O-(2-(Trifluoromethyl)benzyl)hydroxylamine hydrochloride
• CAS No.: 215599-92-1
• Molecular Formula: C8H9ClF3NO
• Molecular Weight: 227.61100
• Hs Code.: 2922199090
• ChEMBL ID: CHEMBL3764796
• DSSTox Substance ID: DTXSID70594709
• Mol file: 215599-92-1.mol

Synonyms:215599-92-1;O-(2-(Trifluoromethyl)benzyl)hydroxylamine hydrochloride;1-[(Aminooxy)methyl]-2-(trifluoromethyl)benzene hydrochloride;O-[2-(Trifluoromethyl)benzyl]hydroxylamine hydrochloride;CHEMBL3764796;O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride;MFCD01114578;O-(2-(Trifluoromethyl)benzyl)hydroxylaminehydrochloride;O-{[2-(trifluoromethyl)phenyl]methyl}hydroxylamine hydrochloride;1-[(ammoniooxy)methyl]-2-(trifluoromethyl)benzene chloride;SCHEMBL1549961;DTXSID70594709;SWWNCDJXXYTTSY-UHFFFAOYSA-N;O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine,hydrochloride;BDBM50146544;2-(Trifluoromethyl)benzyloxyamine HCl;AKOS005069784;SB80298;SY281746;DB-361488;CS-0449587;1G-933;F84178;J-523811;O-{[2-(Trifluoromethyl)phenyl]methyl}hydroxylamine--hydrogen chloride (1/1)

Chemical Property of O-(2-(Trifluoromethyl)benzyl)hydroxylamine hydrochloride

Chemical Property:

• Melting Point: 135-140°C
• PSA: 35.25000
• LogP: 3.59800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 227.0324761
• Heavy Atom Count: 14
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

1-[(Aminooxy)methyl]-2-(trifluoromethyl)benzenehydrochloride >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

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

Technology Process of O-(2-(Trifluoromethyl)benzyl)hydroxylamine hydrochloride

There total 3 articles about O-(2-(Trifluoromethyl)benzyl)hydroxylamine 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:

O-(2-(trifluoromethyl)benzyl)hydroxylamine → O-(2-trifluoromethylbenzyl)hydroxylamine hydrochloride (215599-92-1)

Guidance literature:

With hydrogenchloride; In diethyl ether; Inert atmosphere;

DOI:10.1016/j.ejmech.2015.12.028

Reference yield:

C16H10F3NO3 → O-(2-trifluoromethylbenzyl)hydroxylamine hydrochloride (215599-92-1)

Guidance literature:

C₁₆H₁₀F₃NO₃; With ammonia; In methanol; at 20 ℃; for 2h;

With hydrochloric acid diethyl ether; In diethyl ether; at 0 ℃;

DOI:10.3390/molecules26196015

Reference yield:

o-trifluoromethylbenzyl bromide (395-44-8) → O-(2-trifluoromethylbenzyl)hydroxylamine hydrochloride (215599-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / N,N-dimethyl-formamide / 4 h / 20 °C

2.1: ammonia / methanol / 2 h / 20 °C

2.2: 0 °C

With ammonia; triethylamine; In methanol; N,N-dimethyl-formamide; 1.1: |Mitsunobu Displacement;

DOI:10.3390/molecules26196015

upstream raw materials:

o-trifluoromethylbenzyl bromide

Refernces

• 1、 Malachowski, William P.,Winters, Maria,DuHadaway, James B.,Lewis-Ballester, Ariel,Badir, Shorouk,Wai, Jenny,Rahman, Maisha,Sheikh, Eesha,LaLonde, Judith M.,Yeh, Syun-Ru,Prendergast, George C.,Muller, Alexander J.. "O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1". . p. 564 - 576. Retrieved 2016/01/09.