(2Z)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Base Information

• Chemical Name: (2Z)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
• CAS No.: 42864-53-9
• Molecular Formula: C13H14N2O4
• Molecular Weight: 262.2613
• European Community (EC) Number: 667-436-7
• NSC Number: 201580
• DSSTox Substance ID: DTXSID00419451
• Wikidata: Q76306087
• Mol file: 42864-53-9.mol

Synonyms:(2Z)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide;42864-53-9;NSC201580;DTXSID00419451;CAA103214;AKOS002297390;NSC-201580;ALPHA-CYANO-3,4,5-TRIMETHOXYCINNAMIDE;EN300-18153900;2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide;Z44298559

Chemical Property of (2Z)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Chemical Property:

• Vapor Pressure: 4.6E-10mmHg at 25°C
• Boiling Point: 498.3°Cat760mmHg
• Flash Point: 255.2°C
• Density: 1.231g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 262.09535693
• Heavy Atom Count: 19
• Complexity: 385

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)N
• Isomeric SMILES: COC1=CC(=CC(=C1OC)OC)/C=C(/C#N)\C(=O)N

Technology Process of (2Z)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

There total 1 articles about (2Z)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide 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:

→ 2-cyano-3-(3,4,5-trimethoxyphenyl)acrylamide (42864-53-9)

Guidance literature:

3,4,5-Trimethoxybenzaldehyd, α-Cyanacetamid;

Reference yield: 88.0%

2-cyano-3-(3,4,5-trimethoxyphenyl)acrylamide (42864-53-9) + 2-(1,1-dioxo-1,2,3,4-tetrahydro-1λ6-benzo[b]thiepin-5-ylidene)-malononitrile (286412-43-9) → 10-amino-5,5-dioxo-8-(3,4,5-trimethoxy-phenyl)-6,7-dihydro-5H-5λ6-thia-dibenzo[a,c]cycloheptene-9,11-dicarbonitrile

Guidance literature:

With triethylamine; In ethanol; for 8h; Heating;

DOI:10.1515/znb-2000-0511

Reference yield: 85.0%

5-dicyanomethylene-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one (14003-22-6) + 2-cyano-3-(3,4,5-trimethoxyphenyl)acrylamide (42864-53-9) → 2-amino-4-(3,4,5-trimethoxy-phenyl)-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-1,3-dicarbonitrile

Guidance literature:

With triethylamine; In ethanol; for 8h; Heating;

DOI:10.1515/znb-2000-0511