Methyl 2-(chlorocarbonyl)benzoate

Base Information

• Chemical Name: Methyl 2-(chlorocarbonyl)benzoate
• CAS No.: 4397-55-1
• Molecular Formula: C9H7ClO3
• Molecular Weight: 198.606
• Hs Code.: 2918300090
• European Community (EC) Number: 695-403-7
• DSSTox Substance ID: DTXSID70457229
• Nikkaji Number: J456.476F
• Wikidata: Q82279996
• Mol file: 4397-55-1.mol

Synonyms:methyl 2-(chlorocarbonyl)benzoate;4397-55-1;Methyl 2-carbonochloridoylbenzoate;Methyl phthaloyl chloride;methyl 2-(chloroformyl)benzoate;2-Chlorocarbonylbenzoic acid methyl ester;Benzoic acid, 2-(chlorocarbonyl)-, methyl ester;methyl 2-(carbonochloridoyl)benzoate;2-carbomethoxybenzoylchloride;2-carbomethoxyben-zoylchloride;methoxycarbonylbenzoyl chloride;SCHEMBL305237;o-methoxycarbonylbenzoylchloride;Methyl phthaloyl chloride, 97%;DTXSID70457229;GNBWUEAMCSHHMO-UHFFFAOYSA-N;2-(methoxycarbonyl)benzoyl chloride;MFCD11656039;2-chloroformyl benzoic acid methyl ester;2-Chlorocarbonyl-benzoic acid methyl ester;2-(Chlorocarbonyl)benzoic acid methyl ester;FT-0719269

Chemical Property of Methyl 2-(chlorocarbonyl)benzoate

Chemical Property:

• Vapor Pressure: 0.00136mmHg at 25°C
• Boiling Point: 297.3oC at 760 mmHg
• Flash Point: 130.5oC
• PSA: 43.37000
• Density: 1.291g/cm3
• LogP: 1.85220
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 198.0083718
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 2-(chlorocarbonyl)benzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 22-34-43
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1C(=O)Cl

Technology Process of Methyl 2-(chlorocarbonyl)benzoate

There total 4 articles about Methyl 2-(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%

Monomethyl phthalate (4376-18-5) → phthalic monoacid monomethyl ester chloride (4397-55-1)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; at 60 ℃; for 1h;

DOI:10.1080/104265090508127

Reference yield:

phthalic anhydride (85-44-9) → phthalic monoacid monomethyl ester chloride (4397-55-1)

Guidance literature:

With thionyl chloride; thionyl chloride; Multistep reaction; 2.) 50 deg C;

DOI:10.1016/S0040-4039(00)88098-3

Reference yield:

thionyl chloride (7719-09-7) + Monomethyl phthalate (4376-18-5) → phthalic monoacid monomethyl ester chloride (4397-55-1)

Guidance literature:

upstream raw materials:

Monomethyl phthalate

phthalic anhydride

thionyl chloride

Downstream raw materials:

phthalic acid-(1-ethoxycarbonyl-ethyl ester)-methyl ester

O-(2-Methoxycarbonyl-benzoyl)-α-hydroxy-isovaleriansaeure-ethylester

O-(2-Methoxycarbonyl-benzoyl)-milchsaeure-benzylester

O-(2-Methoxycarbonyl-benzoyl)-(α-hydroxy-isovaleriansaeure-benzylester)

Refernces

• 1、 G?bel, Dominik,Rusch, Pascal,Duvinage, Daniel,Stauch, Tim,Bigall, Nadja-C.,Nachtsheim, Boris J.. "Substitution Effect on 2-(Oxazolinyl)-phenols and 1,2,5-Chalcogenadiazole -Annulated Derivatives: Emission-Color-Tunable, Minimalistic Excited-State Intramolecular Proton Transfer (ESIPT)-Based Luminophores". supporting information. p. 14333 - 14355. Retrieved 2021/10/20.
• 2、 -. "Amide prodrug derivatives as protein kinase inhibitors". Paragraph 0126; 0150-0153. . Retrieved 2019/02/04.