Propanedioic acid, [(2-chlorophenyl)methylene]-

Base Information

• Chemical Name: Propanedioic acid, [(2-chlorophenyl)methylene]-
• CAS No.: 20851-50-7
• Molecular Formula: C10H7ClO4
• Molecular Weight: 226.616
• DSSTox Substance ID: DTXSID60471752
• Nikkaji Number: J1.541.329H
• Mol file: 20851-50-7.mol

Synonyms:20851-50-7;Propanedioic acid, [(2-chlorophenyl)methylene]-;2-chlorobenzylidenemalonic acid;SCHEMBL7311482;DTXSID60471752

Chemical Property of Propanedioic acid, [(2-chlorophenyl)methylene]-

Chemical Property:

• Melting Point: 192 °C
• Boiling Point: 417.7±35.0 °C(Predicted)
• PSA: 74.60000
• Density: 1.531±0.06 g/cm3(Predicted)
• LogP: 1.89260
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 226.0032864
• Heavy Atom Count: 15
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=C(C(=O)O)C(=O)O)Cl

Technology Process of Propanedioic acid, [(2-chlorophenyl)methylene]-

There total 4 articles about Propanedioic acid, [(2-chlorophenyl)methylene]- 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: 94.0%

malonic acid (141-82-2) + 2-chloro-benzaldehyde (89-98-5) → 2-(2-chlorobenzylidene)malonic acid (20851-50-7)

Guidance literature:

With bentonite; for 0.0833333h; Microwave irradiation;

DOI:10.1039/b009803p

Reference yield: 92.0%

2-chloro-benzaldehyde (89-98-5) + 4-methoxy-benzaldehyde (123-11-5) → 2-(2-chlorobenzylidene)malonic acid (20851-50-7)

Guidance literature:

With aluminum oxide; for 0.0833333h; Ambient temperature; microwave irradiation;

DOI:10.1080/00397919708005456

Reference yield:

malonic acid (141-82-2) + 2-chloro-benzaldehyde (89-98-5) → o-chlorocinnamic acid (3752-25-8,939-58-2) + 2-(2-chlorobenzylidene)malonic acid (20851-50-7)

Guidance literature:

2-chloro-benzaldehyde; With pyridine; (R)-methyl 3-phenyl-2-(3-(pyridin-2-yl)ureido)propanoate; In water; at 20 ℃; for 0.25h;

malonic acid; In water; at 20 ℃; for 12h; Overall yield = 84 %;

DOI:10.1016/j.tetlet.2013.07.116

upstream raw materials:

malonic acid

2-chloro-benzaldehyde

4-methoxy-benzaldehyde

Downstream raw materials:

2-(2-chlorobenzylidene)malonyl chloride

o-chlorocinnamic acid

malonic acid

carbon dioxide