Omonasteine

Base Information

• Chemical Name: Omonasteine
• CAS No.: 60175-95-3
• Molecular Formula: C5H9 N O2 S
• Molecular Weight: 147.198
• European Community (EC) Number: 262-097-8
• UNII: 7X84GC156K
• DSSTox Substance ID: DTXSID50866794
• Nikkaji Number: J18.381D
• Wikidata: Q27268981
• NCI Thesaurus Code: C90886
• ChEMBL ID: CHEMBL2105362
• Mol file: 60175-95-3.mol

Synonyms:1,3-thiazinane-4-carboxylic acid;omonasteine

Chemical Property of Omonasteine

Chemical Property:

• Vapor Pressure: 6.59E-06mmHg at 25°C
• Boiling Point: 352.3°C at 760 mmHg
• Flash Point: 166.9°C
• PSA: 74.63000
• Density: 1.288g/cm³
• LogP: 0.45240
• XLogP3: -2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 147.03539970
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

97% ^*data from raw suppliers

1,3-Thiazinane-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSCNC1C(=O)O
• Uses: 1,3-Thiazinane-4-carboxylic acid is an intermediate in the mechanism of condensation of homocysteine thiolactone with aldehydes.

Technology Process of Omonasteine

There total 6 articles about Omonasteine 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: 84.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-aminodihydrothiophen-2(3H)-one hydrochloride (6038-19-3) → 1,3-thiazane-4-carboxylic acid (60175-95-3)

Guidance literature:

With sodium hydroxide; In water; Ambient temperature;

Reference yield: 55.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-amino-4-mercaptobutyric acid (454-29-5) → 1,3-thiazane-4-carboxylic acid (60175-95-3)

Guidance literature:

In water; at 20 ℃; for 48h;

DOI:10.1039/c4cc03527e

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) → 1,3-thiazane-4-carboxylic acid (60175-95-3)

Guidance literature:

With water;

upstream raw materials:

formaldehyd

2-amino-4-mercaptobutyric acid

DL-homocystine

3-aminodihydrothiophen-2(3H)-one hydrochloride

Downstream raw materials:

2-phenyl-7,8-dihydro-5H-imidazo<1,5-c><1,3>thiazine-1,3-<2H,8aH>-dione

2-Phenyl-3-thioxo-tetrahydro-imidazo[1,5-c][1,3]thiazin-1-one

(S)-1,3-thiazane-4-carboxylic acid

(R)-1,3-thiazane-4-carboxylic acid