(Z)-2-cyano-3-ethoxybut-2-enethioamide

Base Information

• Chemical Name: (Z)-2-cyano-3-ethoxybut-2-enethioamide
• CAS No.: 89943-20-4
• Molecular Formula: C₇H₁₀N₂OS
• Molecular Weight: 170.235
• NSC Number: 521450
• Nikkaji Number: J1.588.543B
• Mol file: 89943-20-4.mol

Synonyms:89943-20-4;2-cyano-3-ethoxythiocrotonamide;(Z)-2-cyano-3-ethoxybut-2-enethioamide;NSC-521450;(2Z)-2-cyano-3-ethoxybut-2-enethioamide;SCHEMBL3865590;SCHEMBL3865591;QRQWVBSLABMWFN-WAYWQWQTSA-N;2-Cyano-3-ethoxy-2-butenethioamide;NSC521450;AKOS025401126;A860970

Chemical Property of (Z)-2-cyano-3-ethoxybut-2-enethioamide

Chemical Property:

• Vapor Pressure: 0.000167mmHg at 25°C
• Boiling Point: 330.4°Cat760mmHg
• Flash Point: 153.6°C
• PSA: 91.13000
• Density: 1.168g/cm³
• LogP: 1.80688
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.05138412
• Heavy Atom Count: 11
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

2-Cyano-3-ethoxybut-2-enethioamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=C(C#N)C(=S)N)C
• Isomeric SMILES: CCO/C(=C(/C#N)\C(=S)N)/C

Technology Process of (Z)-2-cyano-3-ethoxybut-2-enethioamide

There total 2 articles about (Z)-2-cyano-3-ethoxybut-2-enethioamide 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: 59.0%

(1-ethoxyethylidene)malononitrile (5417-82-3) → 2-cyano-3-ethoxythiocrotonamide (89943-20-4)

Guidance literature:

With hydrogen sulfide; triethylamine; In tetrahydrofuran; at 0 ℃; for 0.5h;

Reference yield:

→ 2-cyano-3-ethoxythiocrotonamide (89943-20-4)

Guidance literature:

(1-Aethoxy-aethyliden)-malonsaeure-dinitril, H2S in Bzl. + wenig Triaethylamin;

Reference yield: 91.0%

2-cyano-3-ethoxythiocrotonamide (89943-20-4) + phenylhydrazine (100-63-0) → 2-cyano-3-phenylhydrazinothiocrotonamide (102997-19-3)

Guidance literature:

In chloroform; for 0.333333h; Heating;

DOI:10.1002/jhet.5570220434

upstream raw materials:

(1-ethoxyethylidene)malononitrile

Downstream raw materials:

5-amino-4-cyano-3-methyl-1-ethyl-(1H)-pyrazole

1-ethyl-3-methyl-4-thiocarbamoyl-5-aminopyrazole

2-cyano-3-phenylhydrazinothiocrotonamide

(Z)-3-[N'-(4-Chloro-phenyl)-hydrazino]-2-cyano-but-2-enethioic acid amide