Methyl 4-(chlorocarbonyl)benzoate

Base Information

• Chemical Name: Methyl 4-(chlorocarbonyl)benzoate
• CAS No.: 7377-26-6
• Molecular Formula: C9H7ClO3
• Molecular Weight: 198.606
• Hs Code.: 29173990
• European Community (EC) Number: 230-937-2
• DSSTox Substance ID: DTXSID90224137
• Nikkaji Number: J33.491J
• Wikidata: Q72489165
• Mol file: 7377-26-6.mol

Synonyms:7377-26-6;Methyl 4-(chlorocarbonyl)benzoate;Methyl 4-chlorocarbonylbenzoate;Methyl 4-(chloroformyl)benzoate;Terephthalic Acid Monomethyl Ester Chloride;Benzoic acid, 4-(chlorocarbonyl)-, methyl ester;methyl 4-carbonochloridoylbenzoate;Methyl 4-(Carbonochloridoyl)Benzoate;MFCD00059486;4-(Chlorocarbonyl)benzoic acid methyl ester;4-(chlorocarbonyl)-benzoic acid methyl ester;EINECS 230-937-2;4-(Chloroformyl)benzoic Acid Methyl Ester;4-Chlorocarbonylbenzoic acid methyl ester;methyl4-(chlorocarbonyl)benzoate;methyl 4-(carboxy)benzoate;4-carbomethoxybenzoylchloride;methyl p-chloroformylbenzoate;SCHEMBL19543;Methyl 4 chloroformylbenzoate;Methyl 4-chloroformylbenzoate;4-carbomethoxybenzoyl chloride;4-methoxycarbonylbenzoylchloride;4methoxycarbonylbenzoyl chloride;Methyl p-(chloroformyl)benzoate;4-methoxycarbonylbenzoyl chloride;methyl 4-chlorocarbonyl benzoate;DTXSID90224137;4-methoxycarbonyl benzoyl chloride;methyl 4-(chlorocarbonyl) benzoate;4-(methoxycarbonyl)benzoyl chloride;AM1169;Methyl 4-(chlorocarbonyl)benzoate #;Terephthalicacidmonomethylesterchloride;4-methoxycarbonylbenzoic acid chloride;AKOS015889980;METHYL-4-CHLOROCARBONYLBENZOATE;CS-W013206;4-methoxy carbonyl benzoic acid chloride;AC-23482;AS-15799;BP-10268;4-chlorocarbonyl-benzoic acid methyl ester;Methyl 4-(chlorocarbonyl)benzoate, >=95%;4-(methoxycarbonyl) benzenecarbonyl chloride;A9499;FT-0628629;T0283;4-chlorocarbonyl benzoic acid monomethyl ester;EN300-129094;F11273;AN-584/43457642;W-104446

Chemical Property of Methyl 4-(chlorocarbonyl)benzoate

Chemical Property:

• Appearance/Colour: slight yellow to white solid
• Vapor Pressure: 0.00191mmHg at 25°C
• Melting Point: 50-59 °C
• Refractive Index: 1.54
• Boiling Point: 291.8 °C at 760 mmHg
• Flash Point: 127.3 °C
• PSA: 43.37000
• Density: 1.291 g/cm³
• LogP: 1.85220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• Solubility.: HYDROLYSIS
• Water Solubility.: HYDROLYSIS
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 198.0083718
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

4-(Chlorocarbonyl)benzoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-22
• Safety Statements: 24/25-45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)C(=O)Cl
• Uses: 4-(Chlorocarbonyl)benzoic Acid Methyl Ester, is a building block, that can be used for the synthesis of various pharmaceutical compounds. It can be used for the preparation of benzophenone residues and also for the synthesis of novel novel bulky hydrophobic retinoids.

Technology Process of Methyl 4-(chlorocarbonyl)benzoate

There total 19 articles about Methyl 4-(chlorocarbonyl)benzoate 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: 100.0%

→ 4-Methoxycarbonylbenzoyl chloride (7377-26-6)

Guidance literature:

With thionyl chloride; at 80 ℃; for 1h;

Reference yield: 100.0%

Monomethyl terephthalate (1679-64-7) → 4-Methoxycarbonylbenzoyl chloride (7377-26-6)

Guidance literature:

With thionyl chloride; for 2.5h; Reflux;

DOI:10.1016/j.carres.2019.107840

Reference yield: 91.0%

pyridine-2,5-dicarboxylic acid 5-methyl ester (17874-79-2) → 4-Methoxycarbonylbenzoyl chloride (7377-26-6)

Guidance literature:

With thionyl chloride; for 3h; Reflux;

DOI:10.1021/jm200938f

upstream raw materials:

Monomethyl terephthalate

4-hydrazinocarbonylbenzoic acid methyl ester

methanol

terephthaloyl chloride

Downstream raw materials:

terephthalic acid-(2-acetyl-phenyl ester)-methyl ester

N,N'-hexanediyl-bis-terephthalamic acid dimethyl ester

1,4-bis[2-[[4-(methoxycarbonyl) benzoyl]oxy]ethyl] 1,4-benzenedicarboxylate

methyl bis(2-hydroxyethyl) terephthalate