O-Benzoyl-N-methylhydroxylamine Hydrochloride

Base Information

• Chemical Name: O-Benzoyl-N-methylhydroxylamine Hydrochloride
• CAS No.: 27130-46-7
• Molecular Formula: C8H9NO2.ClH
• Molecular Weight: 187.626
• Hs Code.: 2928009090
• DSSTox Substance ID: DTXSID60469472
• Mol file: 27130-46-7.mol

Synonyms:O-Benzoyl-N-methylhydroxylamine Hydrochloride;27130-46-7;methylamino benzoate;hydrochloride;SCHEMBL1703901;DTXSID60469472;CBA13046;MFCD08705298;O-Benzoyl-N-methylhydroxylamineHydrochloride;B3239;CS-0328164;ADENOSINE5-DIPHOSPHATEMONOPOTASSIUMSALT;T70697

Chemical Property of O-Benzoyl-N-methylhydroxylamine Hydrochloride

Chemical Property:

• Vapor Pressure: 0.147mmHg at 25°C
• Melting Point: 136°C(lit.)
• Boiling Point: 215.5oC at 760 mmHg
• Flash Point: 84.1oC
• PSA: 38.33000
• LogP: 2.17070
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 187.0400063
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

O-Benzoyl-N-methylhydroxylamine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNOC(=O)C1=CC=CC=C1.Cl
• Uses: Benzoylation Reagents Simple Tools for a-Oxygenation of Aldehydes and KetonesReactant for preparation of:NHC-catalyzed redox esterification and cycloaddition reactionsPd/pyrrolidine-catalyzed Tsuji-Trost cyclization of aldehydesα-acyloxy ketones via oxyacylation reaction

Technology Process of O-Benzoyl-N-methylhydroxylamine Hydrochloride

There total 5 articles about O-Benzoyl-N-methylhydroxylamine 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: 95.0%

N-(tert-butyloxycarbonyl)-N-methyl-O-benzoyl-hydroxylamine (28330-55-4) → N-methyl-O-(phenylcarbonyl)hydroxylamine hydrochloride (27130-46-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 2h;

DOI:10.1021/ol052474e

Reference yield:

N-methylhydroxyamine hydrochloride (4229-44-1) + benzoic acid (65-85-0,8013-63-6) → N-methyl-O-(phenylcarbonyl)hydroxylamine hydrochloride (27130-46-7)

Guidance literature:

benzoic acid; With 1,1'-carbonyldiimidazole; In dichloromethane; at 0 - 20 ℃;

N-methylhydroxyamine hydrochloride; In dichloromethane; at 25 ℃; for 0.666667h;

DOI:10.15227/orgsyn.084.0233

Reference yield:

benzoic acid (65-85-0,8013-63-6) → N-methyl-O-(phenylcarbonyl)hydroxylamine hydrochloride (27130-46-7)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂

2: 2.) HCl / 1.) CH₂Cl₂, room temp., 20 min, 2.) ether, 10 min

With hydrogenchloride; In dichloromethane;

upstream raw materials:

1-benzoylimidazole

N-methylhydroxyamine hydrochloride

N-(tert-butyloxycarbonyl)-N-methyl-O-benzoyl-hydroxylamine

benzoic acid

Downstream raw materials:

glutaric acid 5-N-benzoyloxy-N-methyl monoamide

1-oxoheptan-2-yl benzoate

2-benzoyloxycyclohexanone

2-(benzoyloxy)-4-methylcyclohexanone