Tert-butyl 2-methylphenoxycarbamate

Base Information

• Chemical Name: Tert-butyl 2-methylphenoxycarbamate
• CAS No.: 119930-83-5
• Molecular Formula: C12H17NO3
• Molecular Weight: 223.272
• DSSTox Substance ID: DTXSID30579875
• Nikkaji Number: J495.017H
• Wikidata: Q82470515
• Mol file: 119930-83-5.mol

Synonyms:tert-butyl 2-methylphenoxycarbamate;119930-83-5;DTXSID30579875;tert-Butyl (2-methylphenoxy)carbamate;N-(2-methyl-phenoxy)-carbamic acid tert-butyl ester

Chemical Property of Tert-butyl 2-methylphenoxycarbamate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1ONC(=O)OC(C)(C)C

Technology Process of Tert-butyl 2-methylphenoxycarbamate

There total 2 articles about Tert-butyl 2-methylphenoxycarbamate 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:

tert-Butyl N-hydroxycarbamate (36016-38-3) → C12H17NO3 (119930-83-5)

Guidance literature:

With potassium hydroxide; iodine; Yield given. Multistep reaction; 1.) DMSO, room temp. 2 h, 2.) Et₂O, 0 deg C, 5 h;

DOI:10.1055/s-1988-27569

Reference yield:

tert-Butyl N-hydroxycarbamate (36016-38-3) → C12H17NO3 (119930-83-5)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) THF, RT, overnight, 2.) acetonitrile, sunlight, 3 h;

DOI:10.1080/00397919208021654

Reference yield: 75.0%

C12H17NO3 (119930-83-5) → O-o-Tolyl-hydroxylamine; hydrochloride (119930-77-7)

Guidance literature:

With hydrogenchloride; In diethyl ether; nitromethane; at 0 ℃; for 1h;

DOI:10.1055/s-1988-27569

upstream raw materials:

tert-Butyl N-hydroxycarbamate

Downstream raw materials:

O-o-Tolyl-hydroxylamine; hydrochloride