methyl (2Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate

Base Information

• Chemical Name: methyl (2Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate
• CAS No.: 54440-99-2
• Molecular Formula: C11H8ClNO2
• Molecular Weight: 221.643
• European Community (EC) Number: 660-264-3
• Mol file: 54440-99-2.mol

Synonyms:methyl (2Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate;144478-31-9;methyl (Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate;methyl (Z)-3-(4-chlorophenyl)-2-cyano-2-propenoate;SCHEMBL11340650;CAK130470;MFCD00158958;AKOS002969741;METHYL 4-CHLORO-ALPHA-CYANOCINNAMATE;12A-104;methyl(2Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate;Z44298083

Chemical Property of methyl (2Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate

Chemical Property:

• PSA: 50.09000
• LogP: 2.41998
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 221.0243562
• Heavy Atom Count: 15
• Complexity: 308

Purity/Quality:

METHYL 4-CHLORO-ALPHA-CYANOCINNAMATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=CC1=CC=C(C=C1)Cl)C#N
• Isomeric SMILES: COC(=O)/C(=C\C1=CC=C(C=C1)Cl)/C#N

Technology Process of methyl (2Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate

There total 9 articles about methyl (2Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate 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: 97.6%

→ methyl 2-cyano-3-(4-chlorophenyl)propenoate (54440-99-2)

Guidance literature:

With ruthenium-carbon composite; at 160 ℃; for 4h;

Reference yield: 97.0%

4-chlorobenzaldehyde (104-88-1) + methyl 2-cyanoacetate (105-34-0) → methyl 2-cyano-3-(4-chlorophenyl)propenoate (54440-99-2)

Guidance literature:

In water; at 25 ℃; for 0.05h; Sonication; Green chemistry;

DOI:10.1080/00304948.2020.1831894

Reference yield: 90.0%

methyl 2-cyanoacetate (105-34-0) + 2-(4-chlorophenyl)-1,1,-dinitroethene (109520-78-7) → methyl 2-cyano-3-(4-chlorophenyl)propenoate (54440-99-2)

Guidance literature:

With sodium; In methanol; at 0 - 20 ℃; for 5h;

DOI:10.1023/A:1026094220537

upstream raw materials:

methanol

3-(4-chlorophenyl)-2-cyanoacrylic acid

4-chlorobenzaldehyde

methyl 2-cyanoacetate

Downstream raw materials:

5-amino-2-(4-chloro-benzylidene)-7-(4-chloro-phenyl)-3-oxo-2,3-dihydro-7H-thiazolo[3,2-a]pyridine-6,8-dicarboxylic acid dimethyl ester

3-(4-Chloro-phenyl)-2-cyano-3-(3-fluoro-phenyl)-propionic acid methyl ester

3,3-Bis-(4-chloro-phenyl)-2-cyano-propionic acid methyl ester

3-(4-Chloro-phenyl)-2-cyano-3-(3,4-difluoro-phenyl)-propionic acid methyl ester

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