3-Thiophenecarboxaldehyde

Base Information

• Chemical Name: 3-Thiophenecarboxaldehyde
• CAS No.: 498-62-4
• Molecular Formula: C5H4OS
• Molecular Weight: 112.152
• Hs Code.: 29339900
• European Community (EC) Number: 207-865-5
• NSC Number: 172858
• DSSTox Substance ID: DTXSID2060098
• Nikkaji Number: J149.677H
• Wikidata: Q27159774
• Metabolomics Workbench ID: 143474
• ChEMBL ID: CHEMBL72211
• Mol file: 498-62-4.mol

Synonyms:3-Thiophenecarboxaldehyde;Thiophene-3-carbaldehyde;498-62-4;3-Formylthiophene;Thiophene-3-carboxaldehyde;3-Thiophenaldehyde;Thiophene-3-aldehyde;3-Thiophenecarbaldehyde;3-thiophene carboxaldehyde;3-formyl-thiophene;3-thiophenealdehyde;3-Thienophenecarboxyaldehyde;3-Thenaldehyde;CHEBI:87611;thiophen-3-carboxaldehyde;3-thiophene carboxyaldehyde;CHEMBL72211;EINECS 207-865-5;NSC 172858;3-thienaldehyde;MFCD00005466;3-Thiophene aldehyde;thiophene-3carbaldehyde;3-thiopene carbaldehyde;thiophen-3-carbaldehyde;3-thiophencarboxaldehyde;3-thiophenecarboaldehyde;3-thiophenecarboxaldhyde;thiophene 3-carbaldehyde;thiophene-3 carbaldehyde;3-Thiophene carbaldehyde;thiophene-3-carboaldehyde;3-thiophene-carboxaldehyde;3-Thiophenecarbaldehyde #;thiophene 3-carboxaldehyde;3-Carboxaldehyde-thiophene;Thiophen-3-carboxyaldehyde;SCHEMBL35993;BIDD:GT0114;3-Thiophenecarboxaldehyde, 98%;DTXSID2060098;BCP31027;BBL012656;BDBM50217035;NSC172858;STL163653;AKOS000119416;AC-4906;CS-W001968;NSC-172858;PB14065;PS-5324;BP-10635;A7418;AM20100214;FT-0601347;T0864;EN300-18316;A850931;Q27159774;Z57887873;F2190-0596;3-Formylthiophene pound>>3-Thenaldehyde pound>>Thiophene-3-carbaldehyde

Chemical Property of 3-Thiophenecarboxaldehyde

Chemical Property:

• Appearance/Colour: clear yellow to light brown liquid
• Vapor Pressure: 0.31 mm Hg ( 20 °C)
• Melting Point: -30 °C
• Refractive Index: n20/D 1.583(lit.)
• Boiling Point: 190.6 °C at 760 mmHg
• Flash Point: 73.9 °C
• PSA: 45.31000
• Density: 1.238 g/cm³
• LogP: 1.56060
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: Chloroform, Hexanes
• Water Solubility.: Not miscible in water.
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.99828592
• Heavy Atom Count: 7
• Complexity: 72.5

Purity/Quality:

99% ^*data from raw suppliers

Thiophene-3-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-43-36/37/38
• Safety Statements: 37-24-36-26-36/37/39-20/21

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CSC=C1C=O
• Uses: 3-Thiophenecarboxaldehyde is used in biological studies to determine the volatile compounds formed from the interaction between organoselenium and sulfur compounds.

Technology Process of 3-Thiophenecarboxaldehyde

There total 43 articles about 3-Thiophenecarboxaldehyde 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: 96.0%

3-hydroxymethyl-thiophene (71637-34-8) → 3-thiophene carboxaldehyde (498-62-4)

Guidance literature:

With silica gel; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium perchlorate; In dichloromethane; Ambient temperature;

DOI:10.1016/S0040-4039(99)00029-5

Reference yield: 92.0%

2,5-dihydrothiophene-3-carboxaldehyde (113772-16-0) → 3-thiophene carboxaldehyde (498-62-4)

Guidance literature:

With sulfuryl dichloride; In dichloromethane; at -36 - -30 ℃; for 0.5h;

DOI:10.1081/SCC-100104065

Reference yield: 89.0%

2-(thiophen-3-yl)-1,3-dithiane (1244041-07-3) → 3-thiophene carboxaldehyde (498-62-4)

Guidance literature:

With eosin y; In water; acetonitrile; at 20 ℃; for 3h; Irradiation;

DOI:10.1016/j.tetlet.2019.151407

upstream raw materials:

3-Bromothiophene

N,N-dimethyl-formamide

3-Bromomethylthiophene

3-formylthiophene diethyl acetal

Downstream raw materials:

1,1-di(thien-3-yl)-methanol

4-phenyl-2-(2-thienyl)-1-(3-thienyl)-1,4-butanedione

2-(α-Hydroxy-3,4-(methylenedioxy)benzyl)thiophene-3-carbaldehyde

1-Thiophen-3-yl-4-tritylsulfanyl-but-2-yn-1-one

Refernces

• 1、 Chiarotto, Isabella,Feroci, Marta. "Electrosynthesis of heteroaromatic aldehydes by palladium-catalyzed carbonylation of heteroaromatic iodides in the presence of formic acid". . p. 2589 - 2592. Retrieved 2006.
• 2、 Azeez, Sadaf,Kandasamy, Jeyakumar,Sabiah, Shahulhameed,Sureshbabu, Popuri. "Controlled reduction of activated primary and secondary amides into aldehydes with diisobutylaluminum hydride". supporting information. p. 2048 - 2053. Retrieved 2022/03/31.
• 3、 Dogga, Bhushanarao,Joseph, Jayan T.,Kumar, C. S. Ananda. "Palladium-Catalyzed Reductive Carbonylation of (Hetero) Aryl Halides and Triflates Using Cobalt Carbonyl as CO Source". supporting information. p. 309 - 313. Retrieved 2020/12/23.