Benzo[b]thiophene-7-carbaldehyde

Base Information

• Chemical Name: Benzo[b]thiophene-7-carbaldehyde
• CAS No.: 10134-91-5
• Molecular Formula: C9H6OS
• Molecular Weight: 162.21
• Hs Code.: 2934999090
• European Community (EC) Number: 805-514-6
• DSSTox Substance ID: DTXSID70443647
• Nikkaji Number: J1.885.553D
• Wikidata: Q82261540
• ChEMBL ID: CHEMBL3358208
• Mol file: 10134-91-5.mol

Synonyms:benzo[b]thiophene-7-carbaldehyde;10134-91-5;1-Benzothiophene-7-carbaldehyde;Benzo[b]thiophene-7-carboxaldehyde;CHEMBL3358208;7-Formylbenzo[b]thiophene;7-benzothiophene-carbaldehyde;benzo[b]thiophene-7-aldehyde;SCHEMBL2261401;1-benzothiophene-7-carboxaldehyde;Benzo[b]thiophene-7carboxaldehyde;DTXSID70443647;WSSVAOKEXMFMIO-UHFFFAOYSA-N;1-benzo[b]thiophene-7-carbaldehyde;BDBM50037720;MFCD08572207;AKOS003237318;MB06402;PS-3543;FT-0725430;EN300-174868;W-204407;Z1201624702

Chemical Property of Benzo[b]thiophene-7-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 42 °C
• Refractive Index: 1.72
• Boiling Point: 303.204 °C at 760 mmHg
• Flash Point: 137.173 °C
• PSA: 45.31000
• Density: 1.301g/cm³
• 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-7-carbaldehyde 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Harmful:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)C=O)SC=C2

Technology Process of Benzo[b]thiophene-7-carbaldehyde

There total 4 articles about Benzo[b]thiophene-7-carbaldehyde 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: 31.5%

7-bromobenzo(b)thiophene (1423-61-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → benzo[b]thiophene-7-carboxaldehyde (10134-91-5)

Guidance literature:

7-bromobenzo(b)thiophene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.333333h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 ℃; for 0.666667h;

Reference yield:

7-Hydroxymethylbenzo[b]thiophene (51830-53-6) → benzo[b]thiophene-7-carboxaldehyde (10134-91-5)

Guidance literature:

With manganese(IV) oxide; In acetone; at 20 ℃; for 39.6667h;

Reference yield:

1-benzothiophen-7-yl magnesium bromide + N,N-dimethyl-formamide (68-12-2,33513-42-7) → benzo[b]thiophene-7-carboxaldehyde (10134-91-5)

Guidance literature:

1-benzothiophen-7-yl magnesium bromide; N,N-dimethyl-formamide; In tetrahydrofuran; at -78 - 0 ℃; for 1h;

With water; ammonium chloride; In tetrahydrofuran;

upstream raw materials:

N,N-dimethyl-formamide

7-bromobenzo(b)thiophene

7-Hydroxymethylbenzo[b]thiophene

Downstream raw materials:

C₂₄H₁₆F₂N₂O₃S

C₂₅H₁₈F₂N₂O₃S

6-(2,5-difluorobenzyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-6H-thieno[2,3-e]indole-7-carboxylic acid

C₂₄H₁₇F₂N₃O₄S₂

Refernces

• 1、 Venkatraman, Srikanth,Velazquez, Francisco,Gavalas, Stephen,Wu, Wanli,Chen, Kevin X.,Nair, Anilkumar G.,Bennett, Frank,Huang, Yuhua,Pinto, Patrick,Jiang, Yueheng,Selyutin, Oleg,Vibulbhan, Bancha,Zeng, Qingbei,Lesburg, Charles,Duca, Jose,Huang, Hsueh-Cheng,Agrawal, Sony,Jiang, Chuan-Kui,Ferrari, Eric,Li, Cheng,Kozlowski, Joseph,Rosenblum, Stuart,Shih, Neng-Yang,Njoroge, F. George. "Discovery of novel tricyclic indole derived inhibitors of HCV NS5B RNA dependent RNA polymerase". . p. 2007 - 2017. Retrieved 2013/04/24.
• 2、 -. "4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS". Page/Page column 144; 147-148. . Retrieved 2008/12/07.