2-Methylthieno[3,2-c]pyridin-4(5H)-one

Base Information

• Chemical Name: 2-Methylthieno[3,2-c]pyridin-4(5H)-one
• CAS No.: 59207-23-7
• Molecular Formula: C8H7NOS
• Molecular Weight: 165.216
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10592582
• Wikidata: Q72491280
• Mol file: 59207-23-7.mol

Synonyms:2-Methylthieno[3,2-c]pyridin-4(5H)-one;59207-23-7;2-methyl-5H-thieno[3,2-c]pyridin-4-one;THIENO[3,2-C]PYRIDIN-4(5H)-ONE, 2-METHYL-;2-METHYL-4H,5H-THIENO[3,2-C]PYRIDIN-4-ONE;SCHEMBL4341520;DTXSID10592582;CZZYGMSEVJJFRE-UHFFFAOYSA-N;MFCD11215545;SC1711;AKOS000266290;AB63937;DS-15182;DB-072604;CS-0082385;A847219;J-510112

Chemical Property of 2-Methylthieno[3,2-c]pyridin-4(5H)-one

Chemical Property:

• Vapor Pressure: 4.01E-07mmHg at 25°C
• Refractive Index: 1.616
• Boiling Point: 415.8 °C at 760 mmHg
• PKA: 13.00±0.20(Predicted)
• Flash Point: 205.3 °C
• PSA: 61.10000
• Density: 1.292 g/cm³
• LogP: 1.89800
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 165.02483502
• Heavy Atom Count: 11
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

2-Methylthieno[3,2-c]pyridin-4(5H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(S1)C=CNC2=O

Technology Process of 2-Methylthieno[3,2-c]pyridin-4(5H)-one

There total 10 articles about 2-Methylthieno[3,2-c]pyridin-4(5H)-one 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: 88.0%

(E)-3-(5-methyl-2-thienyl)-2-propenoic caid (70329-36-1) → 2-methylthieno[3,2-c]pyridin-4(5H)-one (59207-23-7)

Guidance literature:

(E)-3-(5-methyl-2-thienyl)-2-propenoic caid; With chloroformic acid ethyl ester; triethylamine; In acetone; at 0 ℃; for 1.5h;

With sodium azide; In water; acetone; for 0.25h;

With tributyl-amine; In diphenylether; dichloromethane; at 240 ℃;

DOI:10.1016/j.tet.2020.131875

Reference yield: 74.0%

(2E)-3-(5-methyl-2-thienyl)acryloyl azide → 2-methylthieno[3,2-c]pyridin-4(5H)-one (59207-23-7)

Guidance literature:

With tributyl-amine; In diphenylether; dichloromethane; at 230 ℃; for 0.5h;

DOI:10.1021/acs.jmedchem.7b01490

Reference yield:

C8H7N3OS (59207-22-6) → 2-methylthieno[3,2-c]pyridin-4(5H)-one (59207-23-7)

Guidance literature:

In diphenylether; chloroform; at 230 ℃; for 1h;

DOI:10.1021/ja408814g

upstream raw materials:

chloroformic acid ethyl ester

3-(5-methylthiophen-2-yl)acrylic acid

5-methylthiophene-2-carboxaldehyde

C₈H₇N₃OS

Downstream raw materials:

4-Chloro-2-methyl-thieno[3,2-c]pyridine

C₂₉H₂₇NO₅S₂

C₂₉H₂₇NO₆S