(1-Benzothiophen-3-ylmethylidene)propanedinitrile

Base Information

• Chemical Name: (1-Benzothiophen-3-ylmethylidene)propanedinitrile
• CAS No.: 5381-30-6
• Molecular Formula: C12H6N2S
• Molecular Weight: 210.2544
• NSC Number: 108921
• DSSTox Substance ID: DTXSID10296351
• Mol file: 5381-30-6.mol

Synonyms:(1-benzothiophen-3-ylmethylidene)propanedinitrile;5381-30-6;2-(1-benzothiophen-3-ylmethylidene)propanedinitrile;NSC108921;2-(1-benzothien-3-ylmethylene)malononitrile;DTXSID10296351;NSC-108921;2-(benzo[b]thiophen-3-yl-methylene)malononitrile;AE-496/11121005

Chemical Property of (1-Benzothiophen-3-ylmethylidene)propanedinitrile

Chemical Property:

• Vapor Pressure: 8.45E-07mmHg at 25°C
• Boiling Point: 405.9°C at 760 mmHg
• Flash Point: 199.3°C
• Density: 1.338g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 210.02516937
• Heavy Atom Count: 15
• Complexity: 350

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CS2)C=C(C#N)C#N

Technology Process of (1-Benzothiophen-3-ylmethylidene)propanedinitrile

There total 2 articles about (1-Benzothiophen-3-ylmethylidene)propanedinitrile 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: 84.0%

benzothiophene-3-carboxaldehyde (5381-20-4) + malononitrile (109-77-3) → 2-(benzo[b]thiophen-3-ylmethylene)malononitrile (5381-30-6)

Guidance literature:

With piperidine; In ethanol; at 80 ℃; for 1h;

DOI:10.1007/s11030-018-9897-1

Reference yield:

→ 2-(benzo[b]thiophen-3-ylmethylene)malononitrile (5381-30-6)

Guidance literature:

aus I, Malodinitril, analog 3h-l;

DOI:10.1002/ardp.19713041108

upstream raw materials:

benzothiophene-3-carboxaldehyde

malononitrile

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