7-Methoxy-1-benzothiophene-2-carbonitrile

Base Information

• Chemical Name: 7-Methoxy-1-benzothiophene-2-carbonitrile
• CAS No.: 88791-18-8
• Molecular Formula: C₁₀H₇NOS
• Molecular Weight: 189.238
• DSSTox Substance ID: DTXSID70519735
• Wikidata: Q82383139

Synonyms:7-Methoxy-1-benzothiophene-2-carbonitrile;88791-18-8;SCHEMBL4801044;DTXSID70519735;SXNJLXCKMOFGRY-UHFFFAOYSA-N;7-Methoxy- -benzothiophene-2-carbonitrile

Chemical Property of 7-Methoxy-1-benzothiophene-2-carbonitrile

Chemical Property:

• Vapor Pressure: 3.95E-05mmHg at 25°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.02483502
• Heavy Atom Count: 13
• Complexity: 234

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: COC1=CC=CC2=C1SC(=C2)C#N

Technology Process of 7-Methoxy-1-benzothiophene-2-carbonitrile

There total 8 articles about 7-Methoxy-1-benzothiophene-2-carbonitrile 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: 88.0%

2-iodo-7-methoxy-1-benzothiophene (476199-12-9) → 7-methoxybenzothiophene-2-carbonitrile (88791-18-8)

Guidance literature:

2-iodo-7-methoxy-1-benzothiophene; With copper(l) cyanide; In DMF (N,N-dimethyl-formamide); at 130 ℃; for 2.5h;

With ethylenediamine; In DMF (N,N-dimethyl-formamide); water; toluene; at 20 - 40 ℃;

Reference yield: 80.0%

chloroacetonitrile (107-14-2) + 2-mercapto-3-methoxysodiobenzaldehyde → 7-methoxybenzothiophene-2-carbonitrile (88791-18-8)

Guidance literature:

In water; Ambient temperature;

Reference yield: 27.0%

7-methoxybenzothiophene (88791-08-6) + P-toluenesulfonyl cyanide (19158-51-1) → 7-methoxybenzothiophene-2-carbonitrile (88791-18-8)

Guidance literature:

7-methoxybenzothiophene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1.5h;

P-toluenesulfonyl cyanide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 16.5h;

upstream raw materials:

chloroacetonitrile

2,3-dihydro-3-hydroxy-7-methoxybenzothiophene-2-carbonitrile

2-iodo-7-methoxy-1-benzothiophene

7-methoxybenzothiophene

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