(S)-3-Boc-2-thiazolidinecarboxylic acid

Base Information

• Chemical Name: (S)-3-Boc-2-thiazolidinecarboxylic acid
• CAS No.: 891192-95-3
• Molecular Formula: C9H15NO4S
• Molecular Weight: 233.288
• Hs Code.: 2934100090
• European Community (EC) Number: 688-063-6
• DSSTox Substance ID: DTXSID60563909
• Wikidata: Q72450838
• Mol file: 891192-95-3.mol

Synonyms:891192-95-3;(S)-3-Boc-2-thiazolidinecarboxylic acid;(S)-3-(tert-butoxycarbonyl)thiazolidine-2-carboxylic acid;Boc-(S)-thiazolidine-2-carboxylic acid;N-BOC-(S)-THIAZOLIDINE-2-CARBOXYLIC ACID;(2S)-3-[(tert-butoxy)carbonyl]-1,3-thiazolidine-2-carboxylic acid;2,3-thiazolidinedicarboxylic acid, 3-(1,1-dimethylethyl) ester, (2s)-;(2S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-2-carboxylic acid;(2s)-3-((tert-butoxy)carbonyl)-1,3-thiazolidine-2-carboxylic acid;MFCD02682342;SCHEMBL201910;DTXSID60563909;HYAXPNDMEODKHI-LURJTMIESA-N;(2S)-3-(tert-butoxycarbonyl)-1,3-thiazolidine-2-carboxylic acid;AKOS015968859;AS-34144;(S)-3-Boc-thiazolidine-2-carboxylic acid;N-Boc (S) thiazolidine-2-carboxylic acid;CS-0053432;A861305;N-Boc-(S)-thiazolidine-2-carboxylic acid, AldrichCPR;(S)-Thiazolidine-2,3-dicarboxylic acid 3-tert-butyl ester

Chemical Property of (S)-3-Boc-2-thiazolidinecarboxylic acid

Chemical Property:

• Vapor Pressure: 5.26E-07mmHg at 25°C
• Melting Point: 90-93℃
• Refractive Index: 1.544
• Boiling Point: 385.3 °C at 760 mmHg
• Flash Point: 186.8 °C
• PSA: 92.14000
• Density: 1.305 g/cm³
• LogP: 1.31890
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 233.07217913
• Heavy Atom Count: 15
• Complexity: 274

Purity/Quality:

98%,99%, ^*data from raw suppliers

(2S)-2,3-Thiazolidinedicarboxylic acid, 3-(1,1-dimethylethyl) ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCSC1C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCS[C@H]1C(=O)O
• Uses: (S)-3-Boc-thiazolidine-2-carboxylic acid is used as an organic chemical synthesis intermediate.

Technology Process of (S)-3-Boc-2-thiazolidinecarboxylic acid

There total 1 articles about (S)-3-Boc-2-thiazolidinecarboxylic 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: 96.0%

→ 3-(tert-butoxycarbonyl)-1,3-thiazolidine-(2S)-carboxylic acid (891192-95-3,125471-00-3)

Guidance literature:

Reference yield: 100.0%

3-(tert-butoxycarbonyl)-1,3-thiazolidine-(2S)-carboxylic acid (891192-95-3,125471-00-3) + (1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanol (1415994-28-3) → 4-((S)-2-((S)-3-(tert-butoxycarbonyl)thiazolidine-2-carbonyloxy)-2-(4-(difluoromethoxy)-3-methoxyphenyl)ethyl)-3,5-dichloropyridine 1-oxide (1416002-31-7)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 3h;

Reference yield: 97.0%

3-(tert-butoxycarbonyl)-1,3-thiazolidine-(2S)-carboxylic acid (891192-95-3,125471-00-3) + (S)-3,5-dichloro-4-(2-(3-(cyclopentyloxy)-4-(difluoromethoxy)-phenyl)-2-hydroxyethyl)-pyridine 1-oxide (1415994-35-2) → 4-((S)-2-(((S)-3-(tert-butoxycarbonyl)thiazolidine-2-carbonyl)oxy)-2-(3-(cyclopentyloxy)-4-(difluoromethoxy)phenyl)ethyl)-3,5-dichloropyridine 1-oxide

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/acs.jmedchem.7b01044

Downstream raw materials:

4-((S)-2-((S)-3-(tert-butoxycarbonyl)thiazolidine-2-carbonyloxy)-2-(4-(difluoromethoxy)-3-methoxyphenyl)ethyl)-3,5-dichloropyridine 1-oxide

C₄₁H₅₀N₂O₁₀S₂

Refernces