m-tert-Butylphenyl chloroformate

Base Information

• Chemical Name: m-tert-Butylphenyl chloroformate
• CAS No.: 49561-88-8
• Molecular Formula: C11H13ClO2
• Molecular Weight: 212.676
• European Community (EC) Number: 256-374-2
• DSSTox Substance ID: DTXSID20197840
• Nikkaji Number: J33.479K
• Wikidata: Q83070594
• Mol file: 49561-88-8.mol

Synonyms:m-tert-Butylphenyl chloroformate;49561-88-8;(3-tert-butylphenyl) carbonochloridate;3-(tert-Butyl)phenyl carbonochloridate;EINECS 256-374-2;SCHEMBL5838099;DTXSID20197840;3-(tert-Butyl)phenyl Chloroformate;MFCD09952594;3-(tert-Butyl)phenylcarbonochloridate;AKOS017555739;Chloroformic acid m-tert-butylphenyl ester;SY296938

Chemical Property of m-tert-Butylphenyl chloroformate

Chemical Property:

• Vapor Pressure: 0.0214mmHg at 25°C
• Boiling Point: 250.6°Cat760mmHg
• Flash Point: 90.8°C
• PSA: 26.30000
• Density: 1.127g/cm³
• LogP: 3.72170
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.0604073
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

98%Min ^*data from raw suppliers

3-TERT-BUTYLPHENYL CHLOROFORMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of m-tert-Butylphenyl chloroformate

There total 2 articles about m-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:

phosgene (75-44-5) + 3-tert-butylphenyol (585-34-2) → C11H13ClO2 (49561-88-8)

Guidance literature:

With triethylamine; In toluene; at 20 ℃; for 2h;

DOI:10.1021/jm070678q

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 3-tert-butylphenyol (585-34-2) → C11H13ClO2 (49561-88-8)

Guidance literature:

With N,N-diethylaniline; In toluene; at 20 ℃; for 2h; Cooling with ice;

DOI:10.1021/acs.orglett.8b01980

Reference yield: 41.0%

C11H13ClO2 (49561-88-8) + serotonin hydrochloride (153-98-0,21591-86-6) → C21H24N2O3 (1002100-89-1)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1021/jm070678q

upstream raw materials:

phosgene

3-tert-butylphenyol

bis(trichloromethyl) carbonate

Downstream raw materials:

C₂₁H₂₄N₂O₃

C₂₀H₂₄ClN₃O₂

C₂₁H₂₄F₃N₃O₂

C₂₂H₂₄N₂O₃

Refernces

• 1、 Zhang, Yipin,Dong, Xunqing,Wu, Yanan,Li, Guigen,Lu, Hongjian. "Visible-Light-Induced Intramolecular C(sp2)-H Amination and Aziridination of Azidoformates via a Triplet Nitrene Pathway". supporting information. p. 4838 - 4842. Retrieved 2018/08/24.
• 2、 Morera, Enrico,De Petrocellis, Luciano,Morera, Ludovica,Moriello, Aniello Schiano,Ligresti, Alessia,Nalli, Marianna,Woodward, David F.,Di Marzo, Vincenzo,Ortar, Giorgio. "Synthesis and biological evaluation of piperazinyl carbamates and ureas as fatty acid amide hydrolase (FAAH) and transient receptor potential (TRP) channel dual ligands". scheme or table. p. 6806 - 6809. Retrieved 2010/06/12.