Cinnamylidenemalonic acid

Base Information

• Chemical Name: Cinnamylidenemalonic acid
• CAS No.: 28028-86-6
• Molecular Formula: C12H10 O4
• Molecular Weight: 218.209
• European Community (EC) Number: 224-746-3
• NSC Number: 624483,28053
• Nikkaji Number: J105.398A
• ChEMBL ID: CHEMBL2387750

Synonyms:Cinnamylidenemalonic acid;4472-92-8;Cinnamalmalonic acid;2-[(E)-3-phenylprop-2-enylidene]propanedioic acid;2-(3-Phenylallylidene)malonic acid;Malonic acid, cinnamylidene-;Propanedioic acid, (3-phenyl-2-propenylidene)-;NSC624483;(E)-2-(3-phenylallylidene)malonic acid;2-(3-Phenyl-2-propenylidene)malonic acid;28028-86-6;EINECS 224-746-3;Cinnamylidenmalonsaure;Malonic acid, cinnamylidene-, (E)-;SCHEMBL1614744;2-[(2E)-3-phenylprop-2-en-1-ylidene]propanedioic acid;CHEMBL2387750;BLPUXJIIRIWMSQ-QPJJXVBHSA-N;NSC28053;MFCD00014345;NSC 28053;NSC-28053;AKOS000276929;NSC-624483;BS-23501;CS-0206295;A827497;A872473;AG-207/12508005;2-[(2E)-3-Phenyl-2-propenylidene]malonic acid #

Chemical Property of Cinnamylidenemalonic acid

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 218.05790880
• Heavy Atom Count: 16
• Complexity: 306

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC=C(C(=O)O)C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C=C(C(=O)O)C(=O)O

Technology Process of Cinnamylidenemalonic acid

There total 4 articles about Cinnamylidenemalonic 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: 90.0%

(E)-3-phenylpropenal (14371-10-9) + malonic acid (141-82-2) → (E)-2-(3-phenylallylidene)malonic acid (28028-86-6,4472-92-8)

Guidance literature:

With L-proline; for 3h; Irradiation; Inert atmosphere;

DOI:10.1021/jm400374q

Reference yield: 58.0%

malonic acid (141-82-2) + 3-phenyl-propenal (104-55-2) → (E)-2-(3-phenylallylidene)malonic acid (28028-86-6,4472-92-8)

Guidance literature:

With pyridine; at 80 ℃; for 0.5h; Inert atmosphere;

DOI:10.1016/j.tetlet.2018.07.038

Reference yield:

dimethyl ethylidenemalonate (17041-60-0) + benzaldehyde (100-52-7) → (E)-2-(3-phenylallylidene)malonic acid (28028-86-6,4472-92-8)

Guidance literature:

With methanol; N-benzyl-trimethylammonium hydroxide;

upstream raw materials:

(E)-3-phenylpropenal

malonic acid

dimethyl ethylidenemalonate

benzaldehyde

Downstream raw materials:

3-phenylpropylmalonic acid

(3-cyclohexyl-propyl)-malonic acid

5-phenylpenta-2,4-dienoic acid

(2Z,4E)-5-phenylpenta-2,4-dienoic acid

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