o-Cumenyl chloroformate

Base Information

• Chemical Name: o-Cumenyl chloroformate
• CAS No.: 42571-81-3
• Molecular Formula: C10H11 Cl O2
• Molecular Weight: 198.649
• Hs Code.: 2915900090
• European Community (EC) Number: 255-888-4
• UNII: QL4KH3VR38
• DSSTox Substance ID: DTXSID00195349
• Nikkaji Number: J309.948B
• Wikidata: Q83068246
• Mol file: 42571-81-3.mol

Synonyms:o-Cumenyl chloroformate;42571-81-3;2-isopropylphenyl chloroformate;EINECS 255-888-4;QL4KH3VR38;UNII-QL4KH3VR38;MFCD24141162;Carbonochloridic acid, 2-(1-methylethyl)phenyl ester;SCHEMBL5836784;DTXSID00195349;PACHGVCDFBIVDA-UHFFFAOYSA-N;2-(propan-2-yl)phenyl chloroformate;O-ISOPROPYLPHENYL CHLOROFORMATE;AKOS020225604;SY296874;EN300-281258;Chloroformic acid 2-(1-methylethyl)phenyl ester;2-(1-METHYLETHYL)PHENYL CARBONOCHLORIDATE

Chemical Property of o-Cumenyl chloroformate

Chemical Property:

• Vapor Pressure: 0.0397mmHg at 25°C
• Boiling Point: 239.6°Cat760mmHg
• Flash Point: 92°C
• PSA: 26.30000
• Density: 1.154g/cm³
• LogP: 3.54760
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1OC(=O)Cl

Technology Process of o-Cumenyl chloroformate

There total 2 articles about o-Cumenyl 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:

2-(1-methylethyl)phenol (88-69-7) + bis(trichloromethyl) carbonate (32315-10-9) → o-cumenyl chloroformate (42571-81-3)

Guidance literature:

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

DOI:10.1021/acs.orglett.8b01980

Reference yield:

→ o-cumenyl chloroformate (42571-81-3)

Guidance literature:

Reference yield: 20.0%

o-cumenyl chloroformate (42571-81-3) → 2-chlorocumene (2077-13-6)

Guidance literature:

With aluminium trichloride; at 200 ℃; for 3.5h;

DOI:10.1021/jo9716486

upstream raw materials:

2-(1-methylethyl)phenol

bis(trichloromethyl) carbonate

Downstream raw materials:

C₂₀H₂₄N₂O₂

C₁₉H₂₁ClN₂O₂

C₁₉H₂₂N₂O₂

C₂₀H₂₄N₂O₂

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.