Thieno[3,2-b][1]benzothiophene-2-carboxylate

Base Information

• Chemical Name: Thieno[3,2-b][1]benzothiophene-2-carboxylate
• CAS No.: 30126-05-7
• Molecular Formula: C11H6O2S2
• Molecular Weight: 234.3
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10952546
• Wikidata: Q82931182
• Mol file: 30126-05-7.mol

Synonyms:DTXSID10952546;Thieno[3,2-b][1]benzothiophene-2-carboxylate

Chemical Property of Thieno[3,2-b][1]benzothiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 6.31E-10mmHg at 25°C
• Melting Point: 265 °C (decomp)
• Boiling Point: 477.5°C at 760 mmHg
• PKA: 3.40±0.30(Predicted)
• Flash Point: 242.6°C
• PSA: 93.78000
• Density: 1.570±0.06 g/cm3(Predicted)
• LogP: 3.81420
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 232.97309675
• Heavy Atom Count: 15
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(S2)C=C(S3)C(=O)[O-]

Technology Process of Thieno[3,2-b][1]benzothiophene-2-carboxylate

There total 9 articles about Thieno[3,2-b][1]benzothiophene-2-carboxylate 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: 90.0%

ethyl thieno[3,2-b][1]benzothiophene 2-carboxylate (35616-45-6) → thieno[3,2-b]-[1]benzothiophene-2-carboxylic acid (30126-05-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 4h; Reflux;

DOI:10.1039/c2cc30407d

Reference yield:

3-bromobenzo[b]thiophene-2-carbaldehyde (10135-00-9) → thieno[3,2-b]-[1]benzothiophene-2-carboxylic acid (30126-05-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 50 h / 20 °C

2: sodium hydroxide / ethanol; water / 4 h / Reflux

With potassium carbonate; sodium hydroxide; In ethanol; water; N,N-dimethyl-formamide;

DOI:10.1039/c2cc30407d

Reference yield:

methyl thieno[3,2-b][1]benzothiophene-2-carboxylate (694458-11-2) → thieno[3,2-b]-[1]benzothiophene-2-carboxylic acid (30126-05-7)

Guidance literature:

With sodium hydroxide; In methanol; for 3h; Heating;

DOI:10.1039/b308779b

upstream raw materials:

methyl thieno[3,2-b][1]benzothiophene-2-carboxylate

3-chloro-1-benzothiophen-2-carbaldehyde

(o-carboxyphenyl)thioacetic acid

ethyl thieno[3,2-b][1]benzothiophene 2-carboxylate

Downstream raw materials:

benzo<4,5>thieno<3,2-b>thiophene