1-[(Aminooxy)methyl]-4-(trifluoromethyl)benzene hydrochloride

Base Information

• Chemical Name: 1-[(Aminooxy)methyl]-4-(trifluoromethyl)benzene hydrochloride
• CAS No.: 321574-29-2
• Molecular Formula: C8H8F3NO.ClH
• Molecular Weight: 227.614
• Hs Code.: 2922199090
• ChEMBL ID: CHEMBL3764903
• DSSTox Substance ID: DTXSID50594722
• Mol file: 321574-29-2.mol

Synonyms:321574-29-2;O-(4-(Trifluoromethyl)benzyl)hydroxylamine hydrochloride;1-[(aminooxy)methyl]-4-(trifluoromethyl)benzene hydrochloride;o-[4-(trifluoromethyl)benzyl]hydroxylamine hydrochloride;O-{[4-(trifluoromethyl)phenyl]methyl}hydroxylamine hydrochloride;CHEMBL3764903;O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride;1-[(ammoniooxy)methyl]-4-(trifluoromethyl)benzene chloride;O-(4-(Trifluoromethyl)benzyl)hydroxylaminehydrochloride;SCHEMBL1715250;DTXSID50594722;4-Trifluoromethylbenzyloxyamine HCl;O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine,hydrochloride;BDBM50146548;MFCD00231881;AKOS005071136;SB80381;DB-361489;CS-0041896;8H-028;EN300-7378082;J-523812;O-(4-(TRIFLUOROMETHYL)BENZYL)HYDROXYLAMINE HCL;1-[(Aminooxy)methyl]-4-(trifluoromethyl)benzenehydrochloride;1-[(Ammoniooxy)methyl]-4-(trifluoromethyl)benzene hydrochloride;O-{[4-(Trifluoromethyl)phenyl]methyl}hydroxylamine--hydrogen chloride (1/1)

Chemical Property of 1-[(Aminooxy)methyl]-4-(trifluoromethyl)benzene hydrochloride

Chemical Property:

• Melting Point: 325-238°C
• PSA: 35.25000
• LogP: 3.59800
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 227.0324761
• Heavy Atom Count: 14
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

O-(4-(Trifluoromethyl)benzyl)hydroxylaminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CON)C(F)(F)F.Cl

Technology Process of 1-[(Aminooxy)methyl]-4-(trifluoromethyl)benzene hydrochloride

There total 5 articles about 1-[(Aminooxy)methyl]-4-(trifluoromethyl)benzene 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: 76.0%

C18H24F3NO5 → O-(4-(trifluoromethyl)benzyl)hydroxylamine hydrochloride (321574-29-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 25 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.bmcl.2021.128137

Reference yield: 55.3%

2-((4-(trifluoromethyl)benzyl)oxy)isoindoline-1,3-dione → O-(4-(trifluoromethyl)benzyl)hydroxylamine hydrochloride (321574-29-2)

Guidance literature:

With hydrazine hydrate; In tetrahydrofuran; ethanol; at 25 ℃; for 1h;

Reference yield:

O-(4-(trifluoromethyl)benzyl)hydroxylamine (2993-57-9) → O-(4-(trifluoromethyl)benzyl)hydroxylamine hydrochloride (321574-29-2)

Guidance literature:

With hydrogenchloride; In diethyl ether; Inert atmosphere;

DOI:10.1016/j.ejmech.2015.12.028

upstream raw materials:

4-bromomethyltrifluoromethylbenzene

4-(trifluoromethyl)benzylic alcohol

O-(4-(trifluoromethyl)benzyl)hydroxylamine

Downstream raw materials:

C₁₉H₁₇ClF₆N₂O₃S

Refernces

• 1、 Dobelmann, Clemens,Gopinatth, Varun,Jacobson, Kenneth A.,Jain, Shanu,Junker, Anna,Oliva, Paola,Phung, Ngan B.,Scortichini, Mirko,Toti, Kiran S.. "Structure-activity relationships of pyrimidine nucleotides containing a 5′-α,β-methylene diphosphonate at the P2Y6 receptor". supporting information. . Retrieved 2021/06/15.
• 2、 -. "OXIMINO DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA". . . Retrieved 2016/04/19.