2,4,6-Tri-tert-butylphenyl dimethylcarbamate

Base Information

• Chemical Name: 2,4,6-Tri-tert-butylphenyl dimethylcarbamate
• CAS No.: 65832-33-9
• Molecular Formula: C₂₁H₃₅NO₂
• Molecular Weight: 333.514
• DSSTox Substance ID: DTXSID50496651
• Wikidata: Q82345648
• Mol file: 65832-33-9.mol

Synonyms:65832-33-9;2,4,6-Tri-tert-butylphenyl dimethylcarbamate;DTXSID50496651

Chemical Property of 2,4,6-Tri-tert-butylphenyl dimethylcarbamate

Chemical Property:

• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 333.266779359
• Heavy Atom Count: 24
• Complexity: 410

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OC(=O)N(C)C)C(C)(C)C

Technology Process of 2,4,6-Tri-tert-butylphenyl dimethylcarbamate

There total 2 articles about 2,4,6-Tri-tert-butylphenyl dimethylcarbamate 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:

2,6-di-tert-butyl-4-methyl-phenol (128-37-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → Dimethyl-carbamic acid 2,4,6-tri-tert-butyl-phenyl ester (65832-33-9)

Guidance literature:

With di-tert-butyl peroxide; copper 5,10,15,20-tetrakis(ethoxycarbonyl)porphyrin; methyl 4-hydroxylbenzoate; at 120 ℃; for 12h; Kinetics; Schlenk technique;

DOI:10.1002/jccs.202100046

Reference yield:

phosgene (75-44-5) + 2,4,6-tri-tert-butylphenoxol (732-26-3) + dimethyl amine (124-40-3) → Dimethyl-carbamic acid 2,4,6-tri-tert-butyl-phenyl ester (65832-33-9)

Guidance literature:

Multistep reaction; (i) NaH, THF, (ii) /BRN= 1098367/, toluene, (iii) /BRN= 605257/, Et₂O;

Reference yield:

2-iodo-propane (75-30-9) + Dimethyl-carbamic acid 2,4,6-tri-tert-butyl-phenyl ester (65832-33-9) → Isobutyl-methyl-carbamic acid 2,4,6-tri-tert-butyl-phenyl ester (65832-28-2)

Guidance literature:

With sec.-butyllithium; In tetrahydrofuran;

upstream raw materials:

phosgene

2,4,6-tri-tert-butylphenoxol

dimethyl amine

2,6-di-tert-butyl-4-methyl-phenol

Downstream raw materials:

Isobutyl-methyl-carbamic acid 2,4,6-tri-tert-butyl-phenyl ester

(2-Hydroxy-2,2-diphenyl-ethyl)-methyl-carbamic acid 2,4,6-tri-tert-butyl-phenyl ester

Methyl-nonyl-carbamic acid 2,4,6-tri-tert-butyl-phenyl ester

(1-Hydroxy-cyclohexylmethyl)-methyl-carbamic acid 2,4,6-tri-tert-butyl-phenyl ester