Maleate, chloro-, dimethyl

Base Information

• Chemical Name: Maleate, chloro-, dimethyl
• CAS No.: 19393-45-4
• Molecular Formula: C6H7ClO4
• Molecular Weight: 178.5704
• DSSTox Substance ID: DTXSID101031251
• Nikkaji Number: J192.713B
• Mol file: 19393-45-4.mol

Synonyms:Maleate, chloro-, dimethyl;TL 407;19393-45-4;dimethyl (E)-2-chlorobut-2-enedioate;BRN 1724083;Chloromaleic acid dimethyl ester;MALEIC ACID, CHLORO-, DIMETHYL ESTER;2-Chloro-2-butenedioic acid dimethyl ester;3-02-00-01928 (Beilstein Handbook Reference);C6-H7-Cl-O4;Fumaric acid, chloro-, dimethyl ester;Dimethyl chloromaleate;2-Butenedioic acid, 2-chloro-, dimethyl ester, (E)-;SCHEMBL4254467;chloro-maleic acid dimethyl ester;DTXSID101031251;LS-88641

Chemical Property of Maleate, chloro-, dimethyl

Chemical Property:

• Vapor Pressure: 0.0934mmHg at 25°C
• Refractive Index: 1.4720 (estimate)
• Boiling Point: 224°Cat760mmHg
• Flash Point: 91.5°C
• PSA: 52.60000
• Density: 1.281g/cm³
• LogP: 0.45510
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 178.0032864
• Heavy Atom Count: 11
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C=C(C(=O)OC)Cl
• Isomeric SMILES: COC(=O)/C=C(\C(=O)OC)/Cl

Technology Process of Maleate, chloro-, dimethyl

There total 10 articles about Maleate, chloro-, dimethyl 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: 83.0%

dimethyl acetylenedicarboxylate (762-42-5) → dimethyl chloromaleate (19393-45-4)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 90 ℃; for 24h; stereoselective reaction; Molecular sieve; Sealed tube;

DOI:10.1002/anie.201700282

Reference yield:

threo-dimethyl α-fluoro-α'-chlorosuccinate (76937-39-8,76937-40-1) → dimethyl chlorofumarate (5331-33-9) + dimethyl chloromaleate (19393-45-4)

Guidance literature:

With triethylamine; In benzene; at 60 ℃; for 3h; Yield given. Yields of byproduct given;

Reference yield:

2-chloromaleic anhydride (96-02-6) + methanol (67-56-1) → dimethyl chloromaleate (19393-45-4)

Guidance literature:

With calcium sulfate; sulfuric acid;

upstream raw materials:

2-chloromaleic anhydride

methanol

dimethyl α,α'-dichloro-succinates

N,N-dimethyl-aniline

Downstream raw materials:

r-3,c-4-bis(methoxycarbonyl)-3-chloro-t-5-methyl-c-5-phenyl-1-pyrazoline

r-3,c-4-bis(methoxycarbonyl)-3-chloro-c-5-methyl-t-5-phenyl-1-pyrazoline

cis-3,4-bis(methoxycarbonyl)-3-chloro-5,5-diphenyl-1-pyrazoline

1-chloro-r-1,c-3-bis(methoxycarbonyl)-c-2-methyl-t-2-phenylcyclopropane

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