20960-92-3

Basic information

• Product Name: Thiomorpholine-3-carboxylic acid
• Synonyms: 3-THIOMORPHOLINECARBOXYLIC ACID;THIOMORPHOLINE-3-CARBOXYLIC ACID;Thiomorpholine-3-carboxylic acid 97%;3-Thiomorpholinecarboxylicacid(7CI,8CI,9CI);1,4-thiomorpholine-3-carboxylic acid;1,4-Thiazinane-3-carboxylic acid, Tetrahydro-2H-1,4-thiazinane-3-carboxylic acid;ThioMorpholine-3-carboxylic acid HCl salt;Thiomorpholine-3-carboxylicacid97%
• CAS NO: 20960-92-3
• Molecular Formula: C₅H₉NO₂S
• Molecular Weight: 147.2
• Product Categories: CARBOXYLICACID;pharmacetical;Carboxylic Acids;Morpholines & Thiomorpholines;heterocyclic/Aliphatic series;Carboxylic Acids;Morpholines & Thiomorpholines
• Mol File: 20960-92-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 270-278°C
• Boiling Point: 334.6 °C at 760 mmHg
• Flash Point: 156.1 °C
• Appearance: /
• Density: 1.289 g/cm³
• Vapor Pressure: 4.38E-06mmHg at 25°C
• Refractive Index: 1.609
• Storage Temp.: 2-8°C
• PKA: 2.09±0.20(Predicted)
• CAS DataBase Reference: Thiomorpholine-3-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: Thiomorpholine-3-carboxylic acid(20960-92-3)
• EPA Substance Registry System: Thiomorpholine-3-carboxylic acid(20960-92-3)

Safety Data

• Hazard Codes: Xi
• WGK Germany: 3
• Hazardous Substances Data: 20960-92-3(Hazardous Substances Data)

Usage

Definition

ChEBI: A thiomorpholinemonocarboxylic acid having the carboxy group at the 3-position.

InChI:InChI=1/C5H7NO3S/c7-5(8)3-4(10)6-1-2-9-3/h3H,1-2H2,(H,6,10)(H,7,8)

Upstream product

• 72850-30-7 5,6-Dihydro-2H-[1,4]thiazine-3-carboxylic acid ethyl ester 
• 97170-10-0 S-hydroxyethylcysteine 
• 65527-54-0 2-(R)-thiomorpholine carboxylic acid hydrochloride 
• 89299-66-1 (RS)-2-amino-3-<(2-chloroethyl)sulfanyl>propanoic acid hydrochloride 
• 58729-31-0 ethyl thiomorpholine-3-carboxylate 

Downstream Products

• 156474-26-9 1-oxoperhydro-1,4-thiazine-3-carboxylic acid 
• 128453-98-5 thiomorpholine-3,4-dicarboxylic acid 4-tert-butyl ester 

Relevant articles and documents

STEROID SPARING AGENTS AND METHODS OF USING SAME

This invention relates generally to the use of a steroid sparing agent for the preparation of a medicament for the treatment of inflammatory bowel diseases (IBD), asthma, multiple sclerosis (MS), rheumatoid arthritis (RA), graft versus host disease (GVHD), host versus graft disease, and various spondyloarthropathies, comprising administering a steroid sparing immunoglobulin or small molecule composition to a patient in need thereof. The invention also relates generally to combination therapies for the treatment of these conditions.

Synthesis of Optically Active 1,4-Thiazane-3-carboxylic Acid via Optical Resolution by Preferential Crystallization of (RS)2-Amino-3-[(2-chloroethyl)sulfanyl]propanoic Acid Hydrochloride

Optically active 1,4-thiazane-3-carboxylic acid [TCA] was synthesized from cysteine via optical resolution by preferential crystallization. The intermediate (RS)-2-amino-3-[(2-chloroethyl)sulfanyl]propanoic acid hydrochloride [(RS)-ACS-HCl] was found to exist as a conglomerate based on its melting point, solubility and IR spectrum. (RS)-ACS·HCl was optically resolved by preferential crystallization to yield (R)- and (S)-ACS·HCl. (R)- and (S)-ACS·HCl thus obtained were recrystallized from a mixture of hydrochloric acid and 2-propanol, taking account of the solubility of (RS)-ACS·HCl, efficiently yielding both enantiomers in optically pure forms. (R)- and (S)-TCA were then respectively synthesized by the cyclization of (R)- and (S)-ACS·HCI in ethanol in the presence of triethylamine.