Benzo[b]thiophene-4-carboxaldehyde

Base Information

• Chemical Name: Benzo[b]thiophene-4-carboxaldehyde
• CAS No.: 10133-25-2
• Molecular Formula: C9H6OS
• Molecular Weight: 162.212
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70553836
• Nikkaji Number: J1.885.555K
• Wikidata: Q82434527
• Mol file: 10133-25-2.mol

Synonyms:10133-25-2;Benzo[b]thiophene-4-carboxaldehyde;benzo[b]thiophene-4-carbaldehyde;1-Benzothiophene-4-carbaldehyde;SCHEMBL2263913;benzo[b]thiophene-4-carboaldehyde;DTXSID70553836;WTCQKBKVLYOTFC-UHFFFAOYSA-N;MFCD18432490;AKOS016002491;AT10898;SB30110;BS-14217;CS-0097674;EN300-1608393;Z1255419137

Chemical Property of Benzo[b]thiophene-4-carboxaldehyde

Chemical Property:

• Melting Point: 34 °C
• Boiling Point: 125 °C(Press: 4 Torr)
• PSA: 45.31000
• Density: 1.300±0.06 g/cm3(Predicted)
• LogP: 2.71380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.01393598
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzo[b]thiophene-4-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C=CSC2=C1)C=O

Technology Process of Benzo[b]thiophene-4-carboxaldehyde

There total 6 articles about Benzo[b]thiophene-4-carboxaldehyde 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: 98.0%

→ benzo[b]thiophene-4-carboxaldehyde (10133-25-2)

Guidance literature:

Reference yield: 79.0%

benzo[b]thiophen-4-ylmethanol (51830-54-7) → benzo[b]thiophene-4-carboxaldehyde (10133-25-2)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 50 ℃; for 3h;

Reference yield:

benzo[b]thiophene-4-carbonitrile (17347-34-1) → benzo[b]thiophene-4-carboxaldehyde (10133-25-2)

Guidance literature:

With formic acid; nickel; In water; at 80 ℃; for 2.5h;

upstream raw materials:

6-methylbenzo[b]thiophene

4-methylbenzo[b]thiophene

dibenzoyl peroxide

4-bromobenzo[b]thiophene

Refernces

• 1、 -. "BENZISOXAZOLE COMPOUND". Page/Page column 149; 150. . Retrieved 2009/02/10.
• 2、 -. "N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME". Example 16'(3). . Retrieved 2008/06/13.