4-aminotetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide

Base Information

• Chemical Name: 4-aminotetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide
• CAS No.: 39124-27-1
• Molecular Formula: C₆H₁₁NO₄S
• Molecular Weight: 193.224
• European Community (EC) Number: 829-827-2
• ChEMBL ID: CHEMBL3120860
• DSSTox Substance ID: DTXSID00595966
• Wikidata: Q82491082
• Mol file: 39124-27-1.mol

Synonyms:39124-27-1;4-aminotetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide;4-amino-1,1-dioxothiane-4-carboxylic acid;4-amino-1,1-dioxo-1lambda6-thiane-4-carboxylic acid;SCHEMBL1877658;CHEMBL3120860;DTXSID00595966;MFCD09607995;AKOS010825819;CS-0452123;EN300-104482;F30383;4-amino-1,1-dioxo-1|E?-thiane-4-carboxylic acid;4-Amino-1,1-dioxo-1lambda~6~-thiane-4-carboxylic acid;Z826527348;4-Amino-1,1-dioxo-tetrahydro-2H-thiopyran-4-carboxylicacid;4-aminotetrahydro-2H-thiopyran-4-carboxylicacid1,1-dioxide

Chemical Property of 4-aminotetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.551
• Boiling Point: 483.5°Cat760mmHg
• Flash Point: 246.2°C
• PSA: 105.84000
• Density: 1.471g/cm³
• LogP: 0.75820
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 193.04087901
• Heavy Atom Count: 12
• Complexity: 275

Purity/Quality:

97% ^*data from raw suppliers

4-Aminotetrahydro-2H-thiopyran-4-carboxylicAcid1,1-Dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CCC1(C(=O)O)N

Technology Process of 4-aminotetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide

There total 1 articles about 4-aminotetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide 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: 97.0%

4-N-Boc-amino-4-carboxy-1,1-dioxo-tetrahydrothiopyran (369402-94-8) → 4-amino-4-carboxy-1,1-dioxo-tetrahydrothiopyran (39124-27-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2013.12.114

upstream raw materials:

4-N-Boc-amino-4-carboxy-1,1-dioxo-tetrahydrothiopyran

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