Methyl alpha-cyano-4-(dimethylamino)cinnamate

Base Information

• Chemical Name: Methyl alpha-cyano-4-(dimethylamino)cinnamate
• CAS No.: 3785-86-2
• Molecular Formula: C13H14N2O2
• Molecular Weight: 230.266
• NSC Number: 265539
• Nikkaji Number: J1.905.133A,J2.235.124I
• Mol file: 3785-86-2.mol

Synonyms:NSC265539;NIOSH/GD8563000;SCHEMBL21457489;PVTUXLIWSQLDRD-DHZHZOJOSA-N;AKOS000957428;NSC-265539;3785-86-2;GD85630000;Methyl alpha-cyano-4-(dimethylamino)cinnamate;F 2380;4-Dimethylamino-benzal-cyanessigsaeure-methyl ester;SR-01000102391;SR-01000102391-1;4-Dimethylamino-benzal-cyanessigsaeure-methyl ester [German];Cinnamic acid, alpha-cyano-4-(dimethylamino)-, methyl ester;Methyl (2E)-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenoate #;2-Propenoic acid, 2-cyano-3-[4-(dimethylamino)phenyl]-, methyl ester;METHYL (2E)-2-CYANO-3-[4-(DIMETHYLAMINO)PHENYL]PROP-2-ENOATE

Chemical Property of Methyl alpha-cyano-4-(dimethylamino)cinnamate

Chemical Property:

• Vapor Pressure: 2.64E-06mmHg at 25°C
• Boiling Point: 390.5°Cat760mmHg
• Flash Point: 190°C
• Density: 1.162g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 230.105527694
• Heavy Atom Count: 17
• Complexity: 344

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OC
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC

Technology Process of Methyl alpha-cyano-4-(dimethylamino)cinnamate

There total 4 articles about Methyl alpha-cyano-4-(dimethylamino)cinnamate 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: 100.0%

4-dimethylamino-benzaldehyde (100-10-7) + methyl 2-cyanoacetate (105-34-0) → methyl (E)-2-cyano-3-(4-(N,N-dimethylamino)phenyl)-2-propenoate (3785-86-2,13432-69-4)

Guidance literature:

at 170 ℃; for 1h;

DOI:10.1016/S0040-4020(03)00554-4

Reference yield: 92.0%

4-dimethylamino-benzaldehyde (100-10-7) + methyl 2-cyanoacetate (105-34-0) → methyl 2-cyano-3-(4-dimethylaminophenyl)propenoate (3785-86-2)

Guidance literature:

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

DOI:10.1080/00304948.2020.1831894

Reference yield: 53.0%

4-(4-(N,N-dimethylamino)phenyl)-3-nitro-3-buten-2-one (88818-48-8) + methyl 2-cyanoacetate (105-34-0) → methyl 2-cyano-3-(4-dimethylaminophenyl)propenoate (3785-86-2)

Guidance literature:

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

DOI:10.1023/A:1026094220537

upstream raw materials:

4-dimethylamino-benzaldehyde

methyl 2-cyanoacetate

4-(4-(N,N-dimethylamino)phenyl)-3-nitro-3-buten-2-one

Downstream raw materials:

2,3-dicyano-3-(4-dimethylamino-phenyl)-acrylic acid methyl ester

2,3-dicyano-3-(4-dimethylamino-phenyl)-propionic acid methyl ester

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