ANTHRA(2,1-b)THIOPHENE

Base Information

• Chemical Name: ANTHRA(2,1-b)THIOPHENE
• CAS No.: 227-56-5
• Molecular Formula: C₁₆H₁₀S
• Molecular Weight: 234.321
• DSSTox Substance ID: DTXSID00177226
• Nikkaji Number: J62.271K
• Wikidata: Q83047544
• Mol file: 227-56-5.mol

Synonyms:ANTHRA(2,1-b)THIOPHENE;naphtho[2,3-e][1]benzothiole;227-56-5;BRN 4675707;anthra[2,1-b]thiophene;anthrathiophene;SCHEMBL10696192;DTXSID00177226;PAYSBLPSJQBEJR-UHFFFAOYSA-N;LS-20719

Chemical Property of ANTHRA(2,1-b)THIOPHENE

Chemical Property:

• Vapor Pressure: 1.49E-07mmHg at 25°C
• Melting Point: 200 °C
• Boiling Point: 440.7°Cat760mmHg
• Flash Point: 166.1°C
• PSA: 28.24000
• Density: 1.292g/cm³
• LogP: 5.20770
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 234.05032149
• Heavy Atom Count: 17
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Anthra[2,1-b]thiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=CS4
• Uses: Anthra[2,1-b]thiophene was tested for mutagenecity in the Ames standard plate incorporation testa nda. liquid pre-incubation modification of the Ames test.

Technology Process of ANTHRA(2,1-b)THIOPHENE

There total 7 articles about ANTHRA(2,1-b)THIOPHENE 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: 19.0%

6,11-dihydro-6,11-dioxoanthra<2,1-b>thiophene (22108-57-2) → 6,11-dihydro-6-oxoanthra<2,1-b>thiophene (80090-39-7) + anthra<2,3-b>thiophene (227-56-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 48h; Heating;

Reference yield:

4,5,6,11-tetrahydro-6,11-dioxoanthra<2,1-b>thiophene (80090-37-5) → anthra<2,3-b>thiophene (227-56-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 81 percent / chloranil / toluene / 15 h / Heating

2: aluminium chloride, lithium aluminium hydride / diethyl ether / 2 h / Heating

3: Pd/C / m-xylene / 30 h / Heating

With palladium on activated charcoal; lithium aluminium tetrahydride; aluminium trichloride; chloranil; In diethyl ether; m-xylene; toluene;

Reference yield:

[1,4]naphthoquinone (130-15-4) → anthra<2,3-b>thiophene (227-56-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 22 percent / toluene / 48 h / Heating

2: 81 percent / chloranil / toluene / 15 h / Heating

3: aluminium chloride, lithium aluminium hydride / diethyl ether / 2 h / Heating

With lithium aluminium tetrahydride; aluminium trichloride; chloranil; In diethyl ether; toluene;

upstream raw materials:

3-(thiophen-2-ylmethyl)-2-naphthaldehyde

6,11-dihydroanthra<2,1-b>thiophene

6,11-dihydro-6,11-dioxoanthra<2,1-b>thiophene

4,5,6,11-tetrahydro-6,11-dioxoanthra<2,1-b>thiophene

Refernces