dipropyl (Z)-2-chlorobut-2-enedioate

Base Information

• Chemical Name: dipropyl (Z)-2-chlorobut-2-enedioate
• CAS No.: 22801-46-3
• Molecular Formula: C10H15 Cl O4
• Molecular Weight: 234.6767
• NSC Number: 296270
• DSSTox Substance ID: DTXSID00418565
• Wikidata: Q82229143
• Mol file: 22801-46-3.mol

Synonyms:NSC296270;22801-46-3;SCHEMBL4253379;SCHEMBL4256586;DTXSID00418565;NSC-296270

Chemical Property of dipropyl (Z)-2-chlorobut-2-enedioate

Chemical Property:

• Vapor Pressure: 0.00195mmHg at 25°C
• Boiling Point: 291.4°Cat760mmHg
• Flash Point: 110.6°C
• Density: 1.142g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 234.0658866
• Heavy Atom Count: 15
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C=C(C(=O)OCCC)Cl
• Isomeric SMILES: CCCOC(=O)/C=C(/C(=O)OCCC)\Cl

Technology Process of dipropyl (Z)-2-chlorobut-2-enedioate

There total 3 articles about dipropyl (Z)-2-chlorobut-2-enedioate 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:

2-chloromaleic anhydride (96-02-6) + propan-1-ol (71-23-8) → chloromaleic acid dipropyl ester (22801-46-3)

Guidance literature:

With toluene-4-sulfonic acid;

DOI:10.1021/ja01166a525

Reference yield:

propan-1-ol (71-23-8) + chlorofumaric acid (617-42-5,19071-21-7) → n-Propyl-chlorfumarat (22801-46-3)

Guidance literature:

With thionyl chloride;

DOI:10.1002/jps.2600670443

Reference yield:

→ n-Propyl-chlorfumarat (22801-46-3)

Guidance literature:

Dipropyl-dichlorsuccinat, 2-Methyl-5-ethylpyridin;

upstream raw materials:

2-chloromaleic anhydride

propan-1-ol

chlorofumaric acid

Refernces