Thieno[2,3-c]pyridine, 7-(1-methylethyl)-(9CI)

Base Information

• Chemical Name: Thieno[2,3-c]pyridine, 7-(1-methylethyl)-(9CI)
• CAS No.: 100037-76-1
• Molecular Formula: C₁₀H₁₁NS
• Molecular Weight: 177.27
• DSSTox Substance ID: DTXSID70540660
• Nikkaji Number: J254.352D
• Wikidata: Q82416734
• Mol file: 100037-76-1.mol

Synonyms:100037-76-1;Thieno[2,3-c]pyridine, 7-(1-methylethyl)- (9CI);7-propan-2-ylthieno[2,3-c]pyridine;7-Isopropylthieno[2,3-c]pyridine;7-(Propan-2-yl)thieno[2,3-c]pyridine;SCHEMBL15980591;DTXSID70540660;Thieno[2,3-c]pyridine,7-(1-methylethyl)-(9ci)

Chemical Property of Thieno[2,3-c]pyridine, 7-(1-methylethyl)-(9CI)

Chemical Property:

• PSA: 41.13000
• LogP: 3.41970
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.06122053
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NC=CC2=C1SC=C2

Technology Process of Thieno[2,3-c]pyridine, 7-(1-methylethyl)-(9CI)

There total 4 articles about Thieno[2,3-c]pyridine, 7-(1-methylethyl)-(9CI) 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: 85.0%

7-isopropyl-1-oxo-2,3-dihydrothieno<2,3-c>pyridine (100037-74-9) → 7-isopropylthieno<2,3-c>pyridine (100037-76-1)

Guidance literature:

With acetic anhydride; for 1.5h; Heating;

DOI:10.1021/jo00282a006

Reference yield:

5-isopropyl-1,2,4-triazine-6-thione (99702-47-3) → 7-isopropylthieno<2,3-c>pyridine (100037-76-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 70 percent / triethylamine / tetrahydrofuran / 24 h / Ambient temperature

2: 85percent m-chloroperbenzoic acid (mcpba) / CH₂Cl₂ / 1 h / Ambient temperature

3: CH₂Cl₂ / 5 h / 39 °C

4: 85 percent / acetic anhydride / 1.5 h / Heating

With acetic anhydride; triethylamine; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jo00282a006

Reference yield:

6-(3-butynylthio)-5-isopropyl-1,2,4-triazine (100037-82-9) → 7-isopropylthieno<2,3-c>pyridine (100037-76-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 85percent m-chloroperbenzoic acid (mcpba) / CH₂Cl₂ / 1 h / Ambient temperature

2: CH₂Cl₂ / 5 h / 39 °C

3: 85 percent / acetic anhydride / 1.5 h / Heating

With acetic anhydride; 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

DOI:10.1021/jo00282a006

upstream raw materials:

7-isopropyl-1-oxo-2,3-dihydrothieno<2,3-c>pyridine

5-isopropyl-1,2,4-triazine-6-thione

6-(3-butynylthio)-5-isopropyl-1,2,4-triazine

6-(But-3-yne-1-sulfinyl)-5-isopropyl-[1,2,4]triazine