Tetrahydro-2H-thiopyran-3-carboxylic acid

Base Information

• Chemical Name: Tetrahydro-2H-thiopyran-3-carboxylic acid
• CAS No.: 161404-76-8
• Molecular Formula: C₆H₁₀O₂S
• Molecular Weight: 146.21
• Hs Code.: 2934999090
• European Community (EC) Number: 822-772-5
• DSSTox Substance ID: DTXSID10597370
• Nikkaji Number: J870.294B
• Mol file: 161404-76-8.mol

Synonyms:161404-76-8;Tetrahydro-2H-thiopyran-3-carboxylic acid;thiane-3-carboxylic acid;TETRAHYDROTHIOPYRAN-3-CARBOXYLIC ACID;2H-Thiopyran-3-carboxylic acid, tetrahydro-;MFCD14584577;SCHEMBL7454777;DTXSID10597370;AMY34285;BBL101655;STL555451;AKOS006377416;PB33209;Tetrahydro-2H-thiopyran-3-carboxylicacid;AS-33799;2H-Thiopyran-3-carboxylicacid,tetrahydro-;2h-thiopyran-3-carboxylic acid,tetrahydro-;CS-0047855;EN300-77779;2H-Thiopyran-3-carboxylicacid,tetrahydro-(9CI);A883106;Z1198485079

Chemical Property of Tetrahydro-2H-thiopyran-3-carboxylic acid

Chemical Property:

• Melting Point: 111.5-112.5℃
• Boiling Point: 301.8 °C at 760 mmHg
• PKA: 4.32±0.20(Predicted)
• Flash Point: 136.3 °C
• PSA: 62.60000
• Density: 1.237 g/cm³
• LogP: 1.21420
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 146.04015073
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

99%, ^*data from raw suppliers

tetrahydro-2H-thiopyran-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CSC1)C(=O)O

Technology Process of Tetrahydro-2H-thiopyran-3-carboxylic acid

There total 1 articles about Tetrahydro-2H-thiopyran-3-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:

→ tetrahydro-2H-thiopyran-3-carboxylic acid (89489-52-1,161404-76-8,161511-61-1)

Guidance literature:

3-Ethoxycarbonyl-tetrahydrothiopyran, konz. HCl ;

Reference yield:

tetrahydro-2H-thiopyran-3-carboxylic acid (89489-52-1,161404-76-8,161511-61-1) → rac-methyl 5-((1,2-trans)-2-(1-methyl-1H-1,2,3-triazol-4-yl)cyclopropyl)-1-(3'-((tetrahydro-2H-thiopyran-3-yl)methoxy)-[1,1'-biphenyl]-3-yl)-1H-pyrazole-4-carboxylate

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 10 - 20 °C

2: triphenylphosphine; 1,1'-(Azodicarbonyl)dipiperidin / tetrahydrofuran / 18 h / 20 °C / Inert atmosphere

With lithium aluminium tetrahydride; 1,1'-(Azodicarbonyl)dipiperidin; triphenylphosphine; In tetrahydrofuran;

Reference yield:

tetrahydro-2H-thiopyran-3-carboxylic acid (89489-52-1,161404-76-8,161511-61-1) → 5-((1,2-trans)-2-(1-methyl-1H-1,2,3-triazol-4-yl)cyclopropyl)-1-(3'-((tetrahydro-2H-thiopyran-3-yl)methoxy)-[1,1'-biphenyl]-3-yl)-1H-pyrazole-4-carboxylic acid

Guidance literature:

Multi-step reaction with 3 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 10 - 20 °C

2: triphenylphosphine; 1,1'-(Azodicarbonyl)dipiperidin / tetrahydrofuran / 18 h / 20 °C / Inert atmosphere

3: water; lithium hydroxide / methanol / 72 h / 20 °C

With lithium aluminium tetrahydride; 1,1'-(Azodicarbonyl)dipiperidin; water; triphenylphosphine; lithium hydroxide; In tetrahydrofuran; methanol;

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