5-Benzyl-5H-thieno[2,3-c]pyrrole

Base Information

• Chemical Name: 5-Benzyl-5H-thieno[2,3-c]pyrrole
• CAS No.: 119198-74-2
• Molecular Formula: C₁₃H₁₁NS
• Molecular Weight: 213.303
• DSSTox Substance ID: DTXSID30556500
• Nikkaji Number: J305.820D
• Wikidata: Q82438063
• Mol file: 119198-74-2.mol

Synonyms:5-Benzyl-5H-thieno[2,3-c]pyrrole;119198-74-2;SCHEMBL9684575;DTXSID30556500

Chemical Property of 5-Benzyl-5H-thieno[2,3-c]pyrrole

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 213.06122053
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=C3C=CSC3=C2

Technology Process of 5-Benzyl-5H-thieno[2,3-c]pyrrole

There total 3 articles about 5-Benzyl-5H-thieno[2,3-c]pyrrole 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:

3-methyl-2-thiophenecarboxaldehdye (5834-16-2,699531-50-5) → 5-Benzyl-5H-thieno[2,3-c]pyrrole (119198-74-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 92 percent / AcOH, piperidine / benzene / 20 h / Heating

2: 85 percent / NBS, dibenzoyl peroxide / CCl₄ / 5 h / Heating

3: aq. ethanol

With piperidine; N-Bromosuccinimide; acetic acid; dibenzoyl peroxide; In tetrachloromethane; ethanol; benzene;

DOI:10.1021/jo00295a038

Reference yield:

diethyl<(3-methyl-2-thienyl)methylene>propanedioate (104085-29-2) → 5-Benzyl-5H-thieno[2,3-c]pyrrole (119198-74-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / NBS, dibenzoyl peroxide / CCl₄ / 5 h / Heating

2: aq. ethanol

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; ethanol;

DOI:10.1021/jo00295a038

Reference yield:

diethyl<<3-(bromomethyl)-2-thienyl>methylene>propanedioate (104085-30-5) + benzylamine (100-46-9) → 5-Benzyl-5H-thieno[2,3-c]pyrrole (119198-74-2)

Guidance literature:

In ethanol;

DOI:10.1021/jo00295a038

upstream raw materials:

diethyl<<3-(bromomethyl)-2-thienyl>methylene>propanedioate

benzylamine

3-methyl-2-thiophenecarboxaldehdye

diethyl<(3-methyl-2-thienyl)methylene>propanedioate

Downstream raw materials:

dimethyl 4,7-dihydro-8-benzylbenzothiophen-4,7-imine-5,6-dicarboxylate

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