[(5-Chloro-2-nitrophenyl)methylidene]propanedioic acid

Base Information

• Chemical Name: [(5-Chloro-2-nitrophenyl)methylidene]propanedioic acid
• CAS No.: 86209-36-1
• Molecular Formula: C10H6ClNO6
• Molecular Weight: 271.61100
• DSSTox Substance ID: DTXSID80549962

Synonyms:86209-36-1;[(5-Chloro-2-nitrophenyl)methylidene]propanedioic acid;SCHEMBL10968186;DTXSID80549962

Chemical Property of [(5-Chloro-2-nitrophenyl)methylidene]propanedioic acid

Chemical Property:

• PSA: 120.42000
• LogP: 2.32400
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 270.9883646
• Heavy Atom Count: 18
• Complexity: 386

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C=C(C(=O)O)C(=O)O)[N+](=O)[O-]

Technology Process of [(5-Chloro-2-nitrophenyl)methylidene]propanedioic acid

There total 1 articles about [(5-Chloro-2-nitrophenyl)methylidene]propanedioic acid 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: 97.0%

malonic acid (141-82-2) + 5-chloro-2-nitrobenzaldehyde (6628-86-0) → 2-(5-Chloro-2-nitro-benzylidene)-malonic acid (86209-36-1)

Guidance literature:

In acetic acid; at 60 ℃; for 48h;

Reference yield: 84.0%

2-(5-Chloro-2-nitro-benzylidene)-malonic acid (86209-36-1) → 6-bromo-2H-chromen-2-one (19063-55-9) + 4-bromo-1-nitro-2-vinylbenzene (112768-01-1)

Guidance literature:

With copper; In quinoline; for 0.166667h; Heating;

Reference yield: 8.0%

2-(5-Chloro-2-nitro-benzylidene)-malonic acid (86209-36-1) → 6-Chloro-chromen-2-one (2051-59-4) + 4-chloro-1-nitro-2-vinylbenzene (112768-02-2)

Guidance literature:

With copper; In quinoline; for 0.166667h; Heating;

upstream raw materials:

malonic acid

5-chloro-2-nitrobenzaldehyde

Downstream raw materials:

6-Chloro-chromen-2-one

4-chloro-1-nitro-2-vinylbenzene

6-bromo-2H-chromen-2-one

4-bromo-1-nitro-2-vinylbenzene

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