Carbonochloridic acid, 4-methoxyphenyl ester

Base Information

• Chemical Name: Carbonochloridic acid, 4-methoxyphenyl ester
• CAS No.: 7693-41-6
• Molecular Formula: C8H7 Cl O3
• Molecular Weight: 186.595
• Hs Code.: 2915900090
• European Community (EC) Number: 628-379-3
• DSSTox Substance ID: DTXSID8064771
• Nikkaji Number: J266.741J
• Wikidata: Q81991809
• Mol file: 7693-41-6.mol

Synonyms:7693-41-6;4-Methoxyphenyl chloroformate;4-methoxyphenyl carbonochloridate;Carbonochloridic acid, 4-methoxyphenyl ester;4-methoxyphenylchloroformate;(4-methoxyphenyl) carbonochloridate;Chloroformic acid 4-methoxyphenyl ester;carbonochloridic acid 4-methoxyphenyl ester;MFCD00013258;p-methoxyphenyl chloroformate;SCHEMBL219040;4-methoxy-phenyl chloroformate;4-methoxyphenylcarbonochloridate;4-(methoxy)phenyl chloroformate;DTXSID8064771;4-Methoxyphenyl chloroformate, 98%;AKOS015913661;AS-81456;CS-0137264;FT-0636567;EN300-270973

Chemical Property of Carbonochloridic acid, 4-methoxyphenyl ester

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 0.0396mmHg at 25°C
• Refractive Index: n20/D 1.5254(lit.)
• Boiling Point: 49 °C0.27 mm Hg(lit.)，239.7 °C at 760 mmHg
• Flash Point: 100.7 °C
• PSA: 35.53000
• Density: 1.255 g/mL at 25 °C(lit.)
• LogP: 2.43280
• Storage Temp.: 0-6°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.0083718
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

98% ^*data from raw suppliers

4-Methoxyphenyl chloroformate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): TC
• Hazard Codes: T,C
• 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: COC1=CC=C(C=C1)OC(=O)Cl
• Uses: 4-Methoxyphenyl Chloroformate is a useful reagent in epoxidation reactions.

Technology Process of Carbonochloridic acid, 4-methoxyphenyl ester

There total 8 articles about Carbonochloridic acid, 4-methoxyphenyl ester 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%

4-methoxy-phenol (150-76-5) + trichloromethyl chloroformate (503-38-8) → 4-methoxyphenylchloroformate (7693-41-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 1.75h; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejoc.201402326

Reference yield: 25.0%

phosgene (75-44-5) + sodium 4-methoxyphenolate (1122-95-8) → 4-methoxyphenylchloroformate (7693-41-6)

Guidance literature:

In toluene; benzene; for 2h; Ambient temperature;

Reference yield:

phosgene (75-44-5) + 4-methoxy-phenol (150-76-5) → 4-methoxyphenylchloroformate (7693-41-6)

Guidance literature:

With N,N-dimethyl-aniline; triethylamine;

DOI:10.1021/jm00300a035

upstream raw materials:

phosgene

4-methoxy-phenol

sodium 4-methoxyphenolate

bis(trichloromethyl) carbonate

Downstream raw materials:

(1-Methyl-2-phenyl-ethyl)-carbamic acid 4-methoxy-phenyl ester

N-(4-Methoxyphenoxycarbonyl)-6-aminohexansaeure

p-methoxyphenyl 2-pyridylethyl carbonate

(2-Dimethylamino-ethyl)-methyl-carbamic acid 4-methoxy-phenyl ester