(E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide

Base Information

• Chemical Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide
• CAS No.: 10354-19-5
• Molecular Formula: C11H8 N2 O3
• Molecular Weight: 216.196
• NSC Number: 125404
• Mol file: 10354-19-5.mol

Synonyms:10354-19-5;(E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide;2-Propenamide,3-(1,3-benzodioxol-5-yl)-2-cyano-;NSC125404;SCHEMBL5717693;CCG-56175;AKOS003227846;NSC-125404;SR-01000645149-1;3-(2H-1,3-BENZODIOXOL-5-YL)-2-CYANOPROP-2-ENAMIDE

Chemical Property of (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide

Chemical Property:

• Vapor Pressure: 1.64E-09mmHg at 25°C
• Boiling Point: 483.7°Cat760mmHg
• Flash Point: 246.3°C
• Density: 1.421g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 216.05349212
• Heavy Atom Count: 16
• Complexity: 369

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)N
• Isomeric SMILES: C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C(=O)N

Technology Process of (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide

There total 7 articles about (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-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:

piperonal (120-57-0,30024-74-9) + cyanoacetic acid amide (107-91-5) → α-cyano-3,4-methylenedioxycinnamamide (10354-19-5)

Guidance literature:

With sodium hydroxide; ethanol;

Reference yield:

2-imino-8-methoxy-2H-chromene-3-carboxamide (1728-87-6) + piperonal (120-57-0,30024-74-9) → α-cyano-3,4-methylenedioxycinnamamide (10354-19-5) + 2-Benzo[1,3]dioxol-5-yl-8-methoxy-2,3-dihydro-9-oxa-1,3-diaza-anthracen-4-one (75586-41-3) + 2-Benzo[1,3]dioxol-5-yl-8-methoxy-10H-9-oxa-1,3-diaza-anthracen-4-ol (75586-59-3)

Guidance literature:

With piperidine; In ethanol; Yields of byproduct given; 1.) reflux, 3 h, 2.) 20 deg C, overnight;

Reference yield:

piperonal (120-57-0,30024-74-9) + 2-Imino-6-methoxy-2H-chromene-3-carboxylic acid amide (71586-41-9) → α-cyano-3,4-methylenedioxycinnamamide (10354-19-5) + 2-Benzo[1,3]dioxol-5-yl-6-methoxy-2,3-dihydro-9-oxa-1,3-diaza-anthracen-4-one (75586-40-2) + 2-Benzo[1,3]dioxol-5-yl-6-methoxy-10H-9-oxa-1,3-diaza-anthracen-4-ol (75586-58-2)

Guidance literature:

With piperidine; In ethanol; Yields of byproduct given; 1.) reflux, 3 h, 2.) 20 deg C, overnight;

upstream raw materials:

piperonal

ethyl 2-cyanoacetate

cyanoacetic acid amide

2-imino-8-methoxy-2H-chromene-3-carboxamide

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