4-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

Base Information

• Chemical Name: 4-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
• CAS No.: 92503-61-2
• Molecular Formula: C₈H₁₁NS
• Molecular Weight: 153.248
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40424488
• Mol file: 92503-61-2.mol

Synonyms:4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;92503-61-2;4-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine;4-Methyl-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine;SCHEMBL1866928;DTXSID40424488;IKTLCKCXJUXCSP-UHFFFAOYSA-N;HMS1700P14;MFCD07366382;AKOS000125053;AKOS016339688;CS-0152698;FT-0680045;EN300-35088;A909928;11Y-0805;J-515748

Chemical Property of 4-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

Chemical Property:

• Vapor Pressure: 0.0266mmHg at 25°C
• Boiling Point: 246.8 °C at 760 mmHg
• PKA: 9.42±0.40(Predicted)
• Flash Point: 103.1 °C
• PSA: 40.27000
• Density: 1.08 g/cm³
• LogP: 2.28360
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 153.06122053
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=C(CCN1)SC=C2

Technology Process of 4-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

There total 4 articles about 4-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine 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: 100.0%

5-formyl-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (1254344-25-6) → 4-Methyl-4,5,6,7-tetrahydro-thieon<3,2-c>pyridin (92503-61-2)

Guidance literature:

With hydrogenchloride; water; In ethanol; for 4h; Inert atmosphere; Reflux;

DOI:10.3987/COM-10-11992

Reference yield:

[2-(2-thyenyl)ethyl]amine (30433-91-1) → 4-Methyl-4,5,6,7-tetrahydro-thieon<3,2-c>pyridin (92503-61-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: titanium(IV) isopropylate / 2 h / 80 °C / Inert atmosphere

2.1: acetic anhydride

2.2: 0 - 70 °C / Inert atmosphere

2.3: 1.5 h / 70 °C / Inert atmosphere

3.1: hydrogenchloride; water / ethanol / 4 h / Inert atmosphere; Reflux

With titanium(IV) isopropylate; hydrogenchloride; water; acetic anhydride; In ethanol; 2.2: Pictet-Spengler cyclisation / 2.3: Pictet-Spengler cyclisation;

DOI:10.3987/COM-10-11992

Reference yield:

C8H11NS → 4-Methyl-4,5,6,7-tetrahydro-thieon<3,2-c>pyridin (92503-61-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic anhydride

1.2: 0 - 70 °C / Inert atmosphere

1.3: 1.5 h / 70 °C / Inert atmosphere

2.1: hydrogenchloride; water / ethanol / 4 h / Inert atmosphere; Reflux

With hydrogenchloride; water; acetic anhydride; In ethanol; 1.2: Pictet-Spengler cyclisation / 1.3: Pictet-Spengler cyclisation;

DOI:10.3987/COM-10-11992

upstream raw materials:

[2-(2-thyenyl)ethyl]amine

5-formyl-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

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