2,6-Di(propan-2-yl)phenyl carbonochloridate

Base Information

• Chemical Name: 2,6-Di(propan-2-yl)phenyl carbonochloridate
• CAS No.: 7693-49-4
• Molecular Formula: C13H17ClO2
• Molecular Weight: 240.73
• NSC Number: 115522
• DSSTox Substance ID: DTXSID30297320
• Nikkaji Number: J1.340.696K
• Wikidata: Q82038354
• Mol file: 7693-49-4.mol

Synonyms:7693-49-4;2,6-diisopropylphenyl chloroformate;2,6-di(propan-2-yl)phenyl carbonochloridate;NSC115522;SCHEMBL1362427;DTXSID30297320;OCXOOAMLBGDWQW-UHFFFAOYSA-N;MFCD24141244;AKOS020225611;NSC-115522;SY296915;(2,6-Diisopropyl)phenoxycarbonyl Chloride;2,6-Bis(isopropyl)phenoxycarbonyl chloride

Chemical Property of 2,6-Di(propan-2-yl)phenyl carbonochloridate

Chemical Property:

• Vapor Pressure: 0.00352mmHg at 25°C
• Boiling Point: 281.7°C at 760 mmHg
• Flash Point: 99.2°C
• Density: 1.083g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 240.0917075
• Heavy Atom Count: 16
• Complexity: 222

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Di(propan-2-yl)phenyl carbonochloridate

There total 3 articles about 2,6-Di(propan-2-yl)phenyl carbonochloridate 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: 90.0%

phosgene (75-44-5) + 2,6-diisopropylphenol (2078-54-8) → (2,6-diisopropylphenyl)carbonochloridate (7693-49-4)

Guidance literature:

With N,N-dimethyl-aniline; In toluene; at 0 - 20 ℃; for 24h;

DOI:10.1002/(SICI)1522-2675(20000510)83:5<1022::AID-HLCA1022>3.0.CO;2-Y

Reference yield: 82.47%

bis(trichloromethyl) carbonate (32315-10-9) + 2,6-diisopropylphenol (2078-54-8) → (2,6-diisopropylphenyl)carbonochloridate (7693-49-4)

Guidance literature:

With triethylamine; In dichloromethane; at -10 - 20 ℃; for 8h;

DOI:10.1021/acs.jmedchem.0c00698

Reference yield:

→ (2,6-diisopropylphenyl)carbonochloridate (7693-49-4)

Guidance literature:

2,6-Diisoproypl-phenol, COCl2, N,N-Dimethylanilin, Benzol;

DOI:10.1021/jo01288a012

upstream raw materials:

phosgene

2,6-diisopropylphenol

bis(trichloromethyl) carbonate

Downstream raw materials:

(R)-(-)-N-<2-<<<2,6-bis(1-methylethyl)phenoxy>carbonyl>amino>-1-phenylethyl>carbamic acid 1,1-dimethylethyl ester

benzyl (S)-2-N-(tert-butoxycarbonylamino)-3-(2,6-diisopropylphenoxycarbonyloxy)propanoate

benzyl 2-[2,6-bis(isopropyl)phenoxycarbonyloxy]-benzoate

2,6-diisopropylphenyl (Z)-3-{3,4,5-trimethoxy-2-[2-(trifluoroacetylamino)ethyl]phenyl}prop-2-enyl carbonate