2-Iodo-benzo[b]thiophene

Base Information

• Chemical Name: 2-Iodo-benzo[b]thiophene
• CAS No.: 36748-89-7
• Molecular Formula: C8H5 I S
• Molecular Weight: 260.098
• Hs Code.: 29349990
• European Community (EC) Number: 803-592-6
• ChEMBL ID: CHEMBL611628
• DSSTox Substance ID: DTXSID20466982
• Nikkaji Number: J880.486I
• Wikidata: Q82293702
• Mol file: 36748-89-7.mol

Synonyms:2-Iodo-benzo[b]thiophene;36748-89-7;2-iodobenzo[b]thiophene;2-Iodo-1-benzothiophene;2-iodobenzothiophene;Benzo[b]thiophene, 2-iodo-;iodobenzo[b]thiophene;2-Iodobenzothiophene, 97%;SCHEMBL734280;CHEMBL611628;DTXSID20466982;XNCFWDHWACGQBN-UHFFFAOYSA-N;MFCD08706229;AKOS015969335;AS-47362;CS-0191205;F13439;J-509730

Chemical Property of 2-Iodo-benzo[b]thiophene

Chemical Property:

• Melting Point: 58-63°C
• PSA: 28.24000
• LogP: 3.50590
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 259.91567
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99%, ^*data from raw suppliers

2-Iodobenzothiophene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 26-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Iodo-benzo[b]thiophene

There total 1 articles about 2-Iodo-benzo[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:

Benzo[b]thiophene (95-15-8,11095-43-5) → 2-iodobenzothiophene (36748-89-7) + 3-iodobenzo[b]thiophene (36748-88-6)

Guidance literature:

With iodine; oxygen; H₅PV₂Mo₁₀O₄₀; In [D₃]acetonitrile; at 80 ℃; for 8h; under 1520 Torr; Title compound not separated from byproducts;

DOI:10.1021/jo035271h

Reference yield: 94.0%

2-iodobenzothiophene (36748-89-7) + 3,4,5-trimethoxyphenylacetylene (53560-33-1) → 2-((3,4,5-trimethoxyphenyl)ethynyl)benzo[b]thiophene (1422647-86-6)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 20 ℃; for 19h; Inert atmosphere;

DOI:10.1016/j.tet.2013.01.005

Reference yield: 90.0%

2-iodobenzothiophene (36748-89-7) + 2-(5-(benzo[b]thiophen-3-yl)-4-(4-chlorophenyl)-2-(thiophen-2-yl)furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane → 3-(benzo[b]thiophen-2-yl)-5-(benzo[b]thiophen-3-yl)-4-(4-chlorophenyl)-2-(thiophen-2-yl)furan

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium hydroxide; In tetrahydrofuran; at 20 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.202005560

upstream raw materials:

Benzo[b]thiophene

Downstream raw materials:

1-[1-(2-benzo[b]thienyl)cyclohexyl]piperidine

1-(2-benzothiophenyl) 4-tert-butyl cyclohexanol

2-(4-hydroxybut-1-ynyl)thianaphthen

2-((1S,2R,5S)-2-Isopropyl-5-methyl-cyclohexyloxy)-benzo[b]thiophene

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