2,4-Dimethylphenyl chloroformate

Base Information

• Chemical Name: 2,4-Dimethylphenyl chloroformate
• CAS No.: 35709-99-0
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• DSSTox Substance ID: DTXSID90579533
• Nikkaji Number: J955.445I
• Wikidata: Q82470066
• Mol file: 35709-99-0.mol

Synonyms:2,4-dimethylphenyl chloroformate;35709-99-0;2,4-Dimethylphenyl carbonochloridate;SCHEMBL8466385;DTXSID90579533;JRVKFYMWXSDYEF-UHFFFAOYSA-N;AKOS020225691;EN300-281236

Chemical Property of 2,4-Dimethylphenyl chloroformate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dimethylphenyl chloroformate

There total 4 articles about 2,4-Dimethylphenyl 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:

bis(trichloromethyl) carbonate (32315-10-9) + 2,4-Xylenol (105-67-9) → chlorocarbonic acid-(2,4-dimethyl-phenyl ester) (35709-99-0)

Guidance literature:

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

DOI:10.1021/acs.orglett.8b01980

Reference yield:

phosgene (75-44-5) + 2,4-Xylenol (105-67-9) → chlorocarbonic acid-(2,4-dimethyl-phenyl ester) (35709-99-0)

Guidance literature:

With sodium hydroxide; toluene;

Reference yield:

→ 2-(4'-hydroxyphenyl)-2-[4-(2,4-dimethylphenyl)oxycarbonylaminophenyl]propane + chlorocarbonic acid-(2,4-dimethyl-phenyl ester) (35709-99-0)

Guidance literature:

upstream raw materials:

phosgene

2,4-Xylenol

bis(trichloromethyl) carbonate

Downstream raw materials:

2,4-dimethylfluorobenzene

2,4-dimethylchlorobenzene

Refernces

• 1、 -. "Heat-sensitive recording materials and phenol compounds". . . Retrieved 2008/06/13.