5-Methylthiophene-3-carbaldehyde

Base Information

• Chemical Name: 5-Methylthiophene-3-carbaldehyde
• CAS No.: 29421-72-5
• Molecular Formula: C6H6OS
• Molecular Weight: 126.179
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50424691
• Mol file: 29421-72-5.mol

Synonyms:5-methylthiophene-3-carbaldehyde;29421-72-5;3-Thiophenecarboxaldehyde, 5-methyl-;5-methyl-3-thiophenecarboxaldehyde;2-methyl-4-formyl-thiophene;SCHEMBL12422;2-methyl-4-thiophene-aldehyd;DTXSID50424691;XITNVIKTFZONKR-UHFFFAOYSA-N;MFCD07792887;AKOS006286902;DS-5950;PB42481;CS-0054199;EN300-204175;P15425;A912560;Z1198175165

Chemical Property of 5-Methylthiophene-3-carbaldehyde

Chemical Property:

• PSA: 45.31000
• LogP: 1.86900
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.5
• 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:

97% ^*data from raw suppliers

5-methylthiophene-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CS1)C=O

Technology Process of 5-Methylthiophene-3-carbaldehyde

There total 6 articles about 5-Methylthiophene-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: 84.0%

4-bromo-2-methylthiophene (29421-92-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-methyl-4-thiophenecarboxaldehyde (29421-72-5)

Guidance literature:

4-bromo-2-methylthiophene; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 1.5h;

N,N-dimethyl-formamide; In diethyl ether; hexane; at -78 - 20 ℃; for 0.25h;

DOI:10.1039/C8OB02428F

Reference yield: 68.0%

(5-methylthiophen-3-yl)methanol (207277-11-0) → 2-methyl-4-thiophenecarboxaldehyde (29421-72-5)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

3-thiophene carboxaldehyde (498-62-4) + methyl iodide (74-88-4) → 2,5-dimethyl-thiophene-3-carbaldehyde (26421-44-3) + 2-methyl-4-thiophenecarboxaldehyde (29421-72-5) + 2-methyl-3-thiophenecarboxaldehyde (84815-20-3)

Guidance literature:

With n-butyllithium; Product distribution; multistep reaction; var lithium compounds, temperatures and times;

DOI:10.1021/jo00377a019

upstream raw materials:

3-thiophene carboxaldehyde

methyl iodide

4-bromo-2-methylthiophene

N,N-dimethyl-formamide

Downstream raw materials:

2-methyl-4-(3-phenylpropyl)thiophene

1-(5-Methyl-thiophen-3-yl)-3-phenyl-propan-1-one

7-<5-methyl-3-(3-phenylpropyl)-2-thienyl>heptanoic acid

6-<<5-methyl-3-(3-phenylpropyl)-2-thienyl>thio>hexanoic acid