p-Tolyl chloroformate

Base Information

• Chemical Name: p-Tolyl chloroformate
• CAS No.: 937-62-2
• Molecular Formula: C8H7 Cl O2
• Molecular Weight: 170.595
• Hs Code.: 29159000
• European Community (EC) Number: 257-815-1,213-332-8
• DSSTox Substance ID: DTXSID80918199
• Nikkaji Number: J265.444J
• Wikidata: Q82890162
• Mol file: 937-62-2.mol

Synonyms:p-Tolyl chloroformate;937-62-2;4-Methylphenyl chloroformate;Tolyl chloroformate;p-Tolylchloroformate;(4-methylphenyl) carbonochloridate;52286-75-6;EINECS 213-332-8;EINECS 257-815-1;4-methylphenyl carbonochloridate;4-tolyl chloroformate;p-tolyl carbonochloridate;4-tolylchloroformate;p-tolyl-chloroformate;p-methylphenyl chloroformate;p-Tolyl chloroformate, 97%;SCHEMBL652260;4-(methyl)phenyl chloroformate;Chloroformic acid p-tolyl ester;DTXSID80918199;STR05248;MFCD00013255;AKOS026730747;FT-0633151;EN300-270970;CARBONOCHLORIDIC ACID,4-METHYLPHENYL ESTER;3',3'-Dimethyl-1'-(-hydroxyEthyl)-6-nitrospiro2H-1-benzopyran-2,2'-indoline

Chemical Property of p-Tolyl chloroformate

Chemical Property:

• Refractive Index: n20/D 1.5099(lit.)
• Boiling Point: 207.2°Cat760mmHg
• Flash Point: 85.6°C
• PSA: 26.30000
• Density: 1.234g/cm³
• LogP: 2.73260
• Storage Temp.: 0-6°C
• Sensitive.: Moisture Sensitive
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-MethylphenylChloroformate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25-34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of p-Tolyl chloroformate

There total 7 articles about p-Tolyl 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: 11.0%

p-Tolyl chlorothionoformate (937-63-3) + mercury di- (21799-99-5,34817-63-5) → perfluoro(2,4-dimethyl-3-oxa-2,4-diazapentane) (6141-72-6) + p-tolyl chloroformate (937-62-2) + C10H7F6NO3 + C10H7F6NO2S

Guidance literature:

In trichlorofluoromethane; for 2h; Ambient temperature;

DOI:10.1016/S0022-1139(00)83169-3

Reference yield:

p-cresol (106-44-5) + bis(trichloromethyl) carbonate (32315-10-9) → p-tolyl chloroformate (937-62-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 40 ℃; for 1h;

Reference yield:

phosgene (75-44-5) + p-cresol (106-44-5) → p-tolyl chloroformate (937-62-2)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

phosgene

p-cresol

N,N-dimethyl-aniline

p-Tolyl chlorothionoformate

Downstream raw materials:

N-Isopropylcarbaminsaeure-p-tolylester

Refernces

• 1、 -. "Artemisinin derivatives containing piperazine ring and fluorine element, and preparation method and application of artemisinin derivatives". Paragraph 0079; 0111; 0114; 0115. . Retrieved 2020/04/06.
• 2、 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.