p-tert-Butylphenyl chloroformate

Base Information

• Chemical Name: p-tert-Butylphenyl chloroformate
• CAS No.: 33129-84-9
• Molecular Formula: C11H13 Cl O2
• Molecular Weight: 212.676
• Hs Code.: 2915900090
• European Community (EC) Number: 251-386-4
• UNII: 254E010EX1
• DSSTox Substance ID: DTXSID2067747
• Nikkaji Number: J319.501E
• Wikidata: Q81994390
• Mol file: 33129-84-9.mol

Synonyms:33129-84-9;4-(tert-Butyl)phenyl carbonochloridate;p-tert-Butylphenyl chloroformate;(4-tert-butylphenyl) carbonochloridate;4-tert-butylphenyl chloroformate;Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester;EINECS 251-386-4;MFCD00623605;254E010EX1;SCHEMBL581570;DTXSID2067747;UNII-254E010EX1;4-(tert-Butyl)phenyl Chloroformate;4-(t-Butyl)phenyl carbonochloridate;4-(tert-Butyl)phenylcarbonochloridate;AKOS020226269;DS-19849;SY296958;Chloridocarbonic acid 4-tert-butylphenyl ester;EN300-281246;O11104;A924339

Chemical Property of p-tert-Butylphenyl chloroformate

Chemical Property:

• Vapor Pressure: 0.0196mmHg at 25°C
• Boiling Point: 252.2°C at 760 mmHg
• Flash Point: 92.4°C
• PSA: 26.30000
• Density: 1.127g/cm³
• LogP: 3.72170
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.0604073
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

4-(tert-Butyl)phenylcarbonochloridate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of p-tert-Butylphenyl chloroformate

There total 3 articles about p-tert-Butylphenyl chloroformate 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%

phosgene (75-44-5) + para-tert-butylphenol (98-54-4) → 4-(tert-butyl)phenyl chloroformate (33129-84-9)

Guidance literature:

With N,N-dimethyl-aniline; In toluene; Inert atmosphere;

DOI:10.1016/j.tetlet.2008.08.081

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + para-tert-butylphenol (98-54-4) → 4-(tert-butyl)phenyl chloroformate (33129-84-9)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 50 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201303241

Reference yield:

→ 4-(tert-butyl)phenyl chloroformate (33129-84-9)

Guidance literature:

aus p-tert.-Butylphenol u. Phosgen in Ggw. v. Dimethylanilin;

upstream raw materials:

phosgene

para-tert-butylphenol

bis(trichloromethyl) carbonate

Downstream raw materials:

C₂₁H₂₄N₂O₃

C₂₂H₂₄N₂O₃

C₂₁H₂₇NO₂

C₂₁H₂₄F₃N₃O₂

Refernces

• 1、 Chang, Sukbok,Jung, Hoimin,Kim, Dongwook,Lee, Jeonghyo,Lee, Jia,Park, Juhyeon. "Versatile Cp*Co(III)(LX) Catalyst System for Selective Intramolecular C-H Amidation Reactions". supporting information. p. 12324 - 12332. Retrieved 2020/08/06.
• 2、 Monti, Ludovica,Stefanucci, Azzurra,Pieretti, Stefano,Marzoli, Francesca,Fidanza, Lorenzo,Mollica, Adriano,Mirzaie, Sako,Carradori, Simone,De Petrocellis, Luciano,Schiano Moriello, Aniello,Benyhe, Sándor,Zádor, Ferenc,Sz?cs, Edina,?tv?s, Ferenc,Erdei, Anna I.,Samavati, Reza,Dvorácskó, Szabolcs,T?mb?ly, Csaba,Novellino, Ettore. "Evaluation of the analgesic effect of 4-anilidopiperidine scaffold containing ureas and carbamates". . p. 1638 - 1647. Retrieved 2016/10/09.