4-Methylthiophene-2-carbaldehyde

Base Information

• Chemical Name: 4-Methylthiophene-2-carbaldehyde
• CAS No.: 6030-36-0
• Molecular Formula: C6H6OS
• Molecular Weight: 126.179
• Hs Code.: 2934999090
• European Community (EC) Number: 626-208-7
• DSSTox Substance ID: DTXSID20383746
• Nikkaji Number: J532.779B
• Wikidata: Q82175539
• Mol file: 6030-36-0.mol

Synonyms:4-methylthiophene-2-carbaldehyde;6030-36-0;4-Methylthiophene-2-carboxaldehyde;MFCD00159561;2-Formyl-4-methylthiophene;4-methyl-2-thiophenecarbaldehyde;SCHEMBL11993;4-Methylthiophen-2-carbaldehyd;4-methylthiopene-2-carbaldehyde;4-Methyl-thiophene-2carbaldehyde;DTXSID20383746;4-methyl-2-thiophenecarboxaldehyde;4-Methyl-thiophene-2-carbaldehyde;4-Methyl-2-carboxaldehyde-thiophene;AKOS022176058;PS-3591;4-Methylthiophene-2-carboxaldehyde, 97%;AM804119;SY035937;CS-0135491;FT-0635948;M3054;N-(4-acetyl-2-bromophenyl)methanesulfonamide;EN300-101629;F10375;A832678;J-515834;Z1255423820

Chemical Property of 4-Methylthiophene-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.154mmHg at 25°C
• Refractive Index: n20/D 1.578
• Boiling Point: 214.7 °C at 760 mmHg
• Flash Point: 84.8 °C
• PSA: 45.31000
• Density: 1.18 g/cm³
• LogP: 1.86900
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.01393598
• Heavy Atom Count: 8
• Complexity: 92.5

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methylthiophene-2-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=C1)C=O

Technology Process of 4-Methylthiophene-2-carbaldehyde

There total 14 articles about 4-Methylthiophene-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:

N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-methylthiophene-2-carbaldehyde (6030-36-0) + 3-methyl-2-thiophenecarboxaldehdye (5834-16-2,699531-50-5)

Guidance literature:

3-Methylthiophene; With n-butyllithium; In diethyl ether; at 0 - 20 ℃; for 2.25h;

N,N-dimethyl-formamide; In diethyl ether; at 20 ℃;

Reference yield:

3-Methylthiophene (616-44-4,84928-92-7) → 4-methylthiophene-2-carbaldehyde (6030-36-0) + 3-methyl-2-thiophenecarboxaldehdye (5834-16-2,699531-50-5)

Guidance literature:

3-Methylthiophene; With n-butyllithium; In diethyl ether; pentane; at 0 - 20 ℃; for 2.25h;

With N,N-dimethyl-formamide; In diethyl ether; pentane; at 0 - 20 ℃;

Reference yield:

3-Methylthiophene (616-44-4,84928-92-7) + bromodichloromethane (75-27-4) → 4-methylthiophene-2-carbaldehyde (6030-36-0) + 3-methyl-2-thiophenecarboxaldehdye (5834-16-2,699531-50-5)

Guidance literature:

3-Methylthiophene; bromodichloromethane; With 1,1'-bis-(diphenylphosphino)ferrocene; potassium phosphate; palladium diacetate; acetic anhydride; silver carbonate; In acetonitrile; at 60 ℃; for 24h; Schlenk technique; Inert atmosphere;

With hydrogenchloride; In dichloromethane; at 30 ℃; Overall yield = 55 %;

DOI:10.1016/j.tetlet.2018.07.013

upstream raw materials:

3-Methylthiophene

N,N-dimethyl-formamide

1-pyrrolidinecarboxaldehyde

N-Formylpiperidine

Downstream raw materials:

3-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester

Refernces

• 1、 Suaifan, Ghadeer A.R.Y.,Goodyer, Claire L.M.,Threadgill, Michael D.. "Synthesis of N-(Methoxycarbonylthienylmethyl)thioureas and evaluation of their interaction with inducible and neuronal nitric oxide synthase". experimental part. p. 3121 - 3134. Retrieved 2010/09/04.
• 2、 Okuyama, Tomoyuki,Tani, Yutaka,Miyake, Kentaro,Yokoyama, Yasushi. "Chiral helicenoid diarylethene with large change in specific optical rotation by photochromism". . p. 1634 - 1638. Retrieved 2007/10/03.