2-Bromobenzo[b]thiophene-3-carbaldehyde

Base Information

• Chemical Name: 2-Bromobenzo[b]thiophene-3-carbaldehyde
• CAS No.: 39856-98-9
• Molecular Formula: C9H5BrOS
• Molecular Weight: 241.108
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40487831
• Wikidata: Q82330100
• Mol file: 39856-98-9.mol

Synonyms:2-Bromobenzo[b]thiophene-3-carbaldehyde;39856-98-9;2-BROMO-1-BENZOTHIOPHENE-3-CARBALDEHYDE;Benzo[b]thiophene-3-carboxaldehyde, 2-bromo-;SCHEMBL686831;2-Bromo-3-formylbenzothiophene;DTXSID40487831;VGDOLCVWJLNMHX-UHFFFAOYSA-N;2-bromo-3-formylbenzo[b]thiophene;MFCD27996765;AKOS022190047;DS-9280;2-bromobenzo[b]thiophene-3-carboxaldehyde;C75017;EN300-7420066;A873545;Z1939450369

Chemical Property of 2-Bromobenzo[b]thiophene-3-carbaldehyde

Chemical Property:

• Melting Point: 59-60 °C
• Boiling Point: 351.3±22.0 °C(Predicted)
• PSA: 45.31000
• Density: 1.711±0.06 g/cm3(Predicted)
• LogP: 3.47630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 239.92445
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

97% ^*data from raw suppliers

2-Bromobenzo[b]thiophene-3-carbaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(S2)Br)C=O

Technology Process of 2-Bromobenzo[b]thiophene-3-carbaldehyde

There total 5 articles about 2-Bromobenzo[b]thiophene-3-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: 63.0%

2-bromo-3-(bromomethyl)thiophene (40032-76-6) → bromo-2 formyl-3 <1>benzothiophene (39856-98-9)

Guidance literature:

With 4-methylmorpholine N-oxide; In acetonitrile; at 0 ℃; for 4.08h; Molecular sieve; Inert atmosphere;

DOI:10.1021/acs.orglett.0c01043

Reference yield: 7.0%

3-Bromothianaphthene (7342-82-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → bromo-2 formyl-3 <1>benzothiophene (39856-98-9)

Guidance literature:

3-Bromothianaphthene; With tert.-butyl lithium; In diethyl ether; hexane; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In diethyl ether; hexane; at -30 - 20 ℃; for 1h;

With bromine; In diethyl ether; hexane; at -78 - 0 ℃; for 2h;

Reference yield:

benzothiophene-3-carboxaldehyde (5381-20-4) → bromo-2 formyl-3 <1>benzothiophene (39856-98-9)

Guidance literature:

benzothiophene-3-carboxaldehyde; With tert.-butyl lithium; In diethyl ether; pentane; at -30 - 20 ℃; for 0.5h;

With bromine; In diethyl ether; hexane; pentane; at -78 - 0 ℃; for 2h;

DOI:10.1016/j.bmc.2005.08.053

upstream raw materials:

benzothiophene-3-carboxaldehyde

3-Bromothianaphthene

N,N-dimethyl-formamide

2-bromo-3-(bromomethyl)thiophene

Downstream raw materials:

selenolo(2,3-b)benzo(b)thiophene

2-(2-phenyl-1-ethynyl)benzo[b]thiophene-3-carbaldehyde

2-amino-1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridine

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