tert-Butyl 4-methylphenyl carbonate

Base Information

• Chemical Name: tert-Butyl 4-methylphenyl carbonate
• CAS No.: 104741-75-5
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• DSSTox Substance ID: DTXSID90596886
• Nikkaji Number: J637.764E
• Wikidata: Q82492277
• Mol file: 104741-75-5.mol

Synonyms:104741-75-5;tert-Butyl 4-methylphenyl carbonate;SCHEMBL7195555;DTXSID90596886;AKOS008227771

Chemical Property of tert-Butyl 4-methylphenyl carbonate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OC(=O)OC(C)(C)C

Technology Process of tert-Butyl 4-methylphenyl carbonate

There total 3 articles about tert-Butyl 4-methylphenyl carbonate 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: 100.0%

p-cresol (106-44-5) + di-tert-butyl dicarbonate (24424-99-5) → 1-(tert-butoxycarbonyloxy)-4-methylbenzene (104741-75-5)

Guidance literature:

With dmap; In acetonitrile; at 20 ℃; for 0.25h; Further Variations:; Reagents; reaction time; Product distribution;

DOI:10.1021/jo000257f

Reference yield:

p-cresol (106-44-5) + tert-butyl 2-[(tert-butoxycarbonyl)amino]-1H-benzo[d]imidazole-1-carboxylate → tert-butyl 2-amino-1H-benzo[d]imidazole-1-carboxylate + 1-(tert-butoxycarbonyloxy)-4-methylbenzene (104741-75-5)

Guidance literature:

With acetic acid tert-butyl ester; Zn⁽²⁺⁾*2C₂H₃O₂^(1-)*17H₂O; at 100 ℃; for 24h;

Reference yield:

p-tolyl chloroformate (937-62-2) + sodium t-butanolate (865-48-5) → 1-(tert-butoxycarbonyloxy)-4-methylbenzene (104741-75-5)

Guidance literature:

With toluene; benzene;

DOI:10.1021/ja01574a029

upstream raw materials:

p-tolyl chloroformate

sodium t-butanolate

p-cresol

di-tert-butyl dicarbonate

Downstream raw materials:

p-cresol

toluene

p-tolylboronic pinacol ester

tert-butyl N-(4-cyanophenyl)carbamate

Refernces

• 1、 -. "PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS". Page/Page column 58; 59; 60. . Retrieved 2017/04/11.
• 2、 Procopio, Antonio,Cravotto, Giancarlo,Oliverio, Manuela,Costanzo, Paola,Nardi, Monica,Paonessa, Rosina. "An eco-sustainable erbium(iii)-catalyzed method for formation/cleavage of O-tert-butoxy carbonates". experimental part. p. 436 - 443. Retrieved 2011/04/17.