3-Iodothiophene-2-carbaldehyde

Base Information

• Chemical Name: 3-Iodothiophene-2-carbaldehyde
• CAS No.: 930-97-2
• Molecular Formula: C5H3IOS
• Molecular Weight: 238.049
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80356037
• Nikkaji Number: J148.044H
• Wikidata: Q82135167
• Mol file: 930-97-2.mol

Synonyms:3-iodothiophene-2-carbaldehyde;930-97-2;2-Thiophenecarboxaldehyde, 3-iodo-;3-Iodo-2-thiophenecarbaldehyde;SCHEMBL7468523;DTXSID80356037;MFCD03426914;AT16727;CS-0237388;EN300-182984;AI-942/25121040;Z1269213460

Chemical Property of 3-Iodothiophene-2-carbaldehyde

Chemical Property:

• Melting Point: 81 °C
• Boiling Point: 306.0±27.0 °C(Predicted)
• PSA: 45.31000
• Density: 2.113±0.06 g/cm3(Predicted)
• LogP: 2.16520
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 237.89493
• Heavy Atom Count: 8
• Complexity: 96.4

Purity/Quality:

99% ^*data from raw suppliers

3-Iodothiophene-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CSC(=C1I)C=O

Technology Process of 3-Iodothiophene-2-carbaldehyde

There total 2 articles about 3-Iodothiophene-2-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: 99.0%

3-bromo-2-thiophenecarboxaldehyde (930-96-1) → 3-iodothiophene-2-carboxaldehyde (930-97-2)

Guidance literature:

With copper(l) iodide; Trimethylenediamine; sodium iodide; In 1,4-dioxane; for 24h; Reflux; Inert atmosphere;

DOI:10.1155/2019/2385064

Reference yield:

2-Bromo-3-iodothiophene (24287-92-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-bromothiophene-3-carbaldehyde (1860-99-7) + 3-bromo-2-thiophenecarboxaldehyde (930-96-1) + 3-iodothiophene-2-carboxaldehyde (930-97-2)

Guidance literature:

2-Bromo-3-iodothiophene; With ethylmagnesium chloride; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

With water; ammonium chloride; In tetrahydrofuran; Inert atmosphere;

DOI:10.1080/00397910902763904

Reference yield: 59.0%

3-iodothiophene-2-carboxaldehyde (930-97-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-Phenyl-2-thiophenecarboxaldehyde (26170-85-4)

Guidance literature:

for 1h; Irradiation;

upstream raw materials:

2-Bromo-3-iodothiophene

N,N-dimethyl-formamide

3-bromo-2-thiophenecarboxaldehyde

Downstream raw materials:

3-Phenyl-2-thiophenecarboxaldehyde