tert-Butyl [2-(hydroxyimino)-2-phenylethyl]carbamate

Base Information

• Chemical Name: tert-Butyl [2-(hydroxyimino)-2-phenylethyl]carbamate
• CAS No.: 912762-45-9
• Molecular Formula: C₁₃H₁₈N₂O₃
• Molecular Weight: 250.298
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID10694373
• Mol file: 912762-45-9.mol

Synonyms:912762-45-9;tert-butyl N-(2-hydroxyimino-2-phenylethyl)carbamate;tert-Butyl [2-(hydroxyimino)-2-phenylethyl]carbamate;MFCD08692505;DTXSID10694373;AKOS030254171

Chemical Property of tert-Butyl [2-(hydroxyimino)-2-phenylethyl]carbamate

Chemical Property:

• Vapor Pressure: 2.76E-07mmHg at 25°C
• Boiling Point: 405°C at 760 mmHg
• Flash Point: 198.7°C
• PSA: 70.92000
• Density: 1.1g/cm³
• LogP: 2.78050
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 250.13174244
• Heavy Atom Count: 18
• Complexity: 302

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(2-(hydroxyimino)-2-phenylethyl)carbamate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC(=NO)C1=CC=CC=C1

Technology Process of tert-Butyl [2-(hydroxyimino)-2-phenylethyl]carbamate

There total 4 articles about tert-Butyl [2-(hydroxyimino)-2-phenylethyl]carbamate 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: 66.0%

(2-Oxo-2-phenylethyl)carbamic acid tert-butyl ester (76477-26-4) → C13H18N2O3 (912762-45-9)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol; for 3h;

DOI:10.1016/j.bmcl.2016.03.043

Reference yield: 65.0%

E-oxime of 2-[(triphenylphosphoranylidene)amino]acetophenone + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl N-[(2E)-2-(hydroximino)-2-phenylethyl]carbamate (912762-45-9)

Guidance literature:

E-oxime of 2-[(triphenylphosphoranylidene)amino]acetophenone; With water; In tetrahydrofuran; at 20 ℃; for 24h;

di-tert-butyl dicarbonate; In tetrahydrofuran; at 20 ℃; for 24h; Further stages.;

DOI:10.1134/S1070428007080027

Reference yield:

α-bromoacetophenone (70-11-1) → C13H18N2O3 (912762-45-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hexamethylenetetramine; sodium iodide / ethanol / 24 h

1.2: 5 h / Reflux

2.1: sodium hydrogencarbonate / methanol / 12 h

3.1: hydroxylamine hydrochloride; pyridine / ethanol / 3 h

With pyridine; hexamethylenetetramine; hydroxylamine hydrochloride; sodium hydrogencarbonate; sodium iodide; In methanol; ethanol; 1.1: |Delepine Amine Synthesis / 1.2: |Delepine Amine Synthesis;

DOI:10.1016/j.bmcl.2016.03.043

upstream raw materials:

di-tert-butyl dicarbonate

α-bromoacetophenone

2-Aminoacetophenone

(2-Oxo-2-phenylethyl)carbamic acid tert-butyl ester