4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid

Base Information

• Chemical Name: 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid
• CAS No.: 116118-98-0
• Molecular Formula: C8H9NO2S
• Molecular Weight: 183.231
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80558074
• Mol file: 116118-98-0.mol

Synonyms:4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid;116118-98-0;4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxylic acid;Thieno[3,2-c]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro-;OEYJTWUFGQRSOD-UHFFFAOYSA-N;SCHEMBL977949;4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-carboxylicacid;DTXSID80558074;4,5,6,7-Tetrahydrothieno-[3,2-c]pyridine-2-carboxylic acid;MFCD08696382;AKOS000313576;FS-2875;MB06538;AM20120465;EN300-255516;A803560;J-514059;4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-carboxylic acid;4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid, AldrichCPR

Chemical Property of 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 277 °C (decomp)
• Refractive Index: 1.619
• Boiling Point: 401.607 °C at 760 mmHg
• PKA: 3.58±0.20(Predicted)
• Flash Point: 196.685 °C
• PSA: 77.57000
• Density: 1.364 g/cm³
• LogP: 1.42080
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 183.03539970
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1SC(=C2)C(=O)O

Technology Process of 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid

There total 3 articles about 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid 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: 83.0%

6,7-Dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid diethyl ester (116119-00-7) → 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid (116118-98-0)

Guidance literature:

With potassium hydroxide; Heating;

DOI:10.1016/S0960-894X(02)00485-7

Reference yield:

ethyl 4-chloro-3-formyl-5,6-dihydropyridine-1(2H)-carboxylate (96507-72-1) → 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid (116118-98-0)

Guidance literature:

Multi-step reaction with 3 steps

1: Et₃N; pyridine

2: 50 percent aq. KOH

3: 83 percent / 3.5 N aq. KOH / Heating

With pyridine; potassium hydroxide; triethylamine;

DOI:10.1016/S0960-894X(02)00485-7

Reference yield:

4-ethoxycarbonylmethylsulfanyl-5-formyl-3,6-dihydro-2H-pyridine-1-carboxylic acid ethyl ester → 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid (116118-98-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent aq. KOH

2: 83 percent / 3.5 N aq. KOH / Heating

With potassium hydroxide;

DOI:10.1016/S0960-894X(02)00485-7

upstream raw materials:

6,7-Dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid diethyl ester

ethyl 4-chloro-3-formyl-5,6-dihydropyridine-1(2H)-carboxylate

Downstream raw materials:

5-tert-butoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid

5-t-butoxycarbonyl-3-benzyl-4,5,6,7-tetrahydrothieno [3,2-c]pyridin-2-carboxylic acid

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

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