3-Acetylthiazolidine-4-carboxylic acid

Base Information

• Chemical Name: 3-Acetylthiazolidine-4-carboxylic acid
• CAS No.: 5025-82-1
• Deprecated CAS: 118014-14-5
• Molecular Formula: C₆H₉NO₃S
• Molecular Weight: 175.208
• Hs Code.: 2926909033
• European Community (EC) Number: 225-713-6
• NSC Number: 146111
• DSSTox Substance ID: DTXSID30863483
• Nikkaji Number: J203.256B
• ChEMBL ID: CHEMBL1400300
• Mol file: 5025-82-1.mol

Synonyms:5025-82-1;Folcisteine;3-Acetylthiazolidine-4-carboxylic acid;3-acetyl-1,3-thiazolidine-4-carboxylic acid;3-Acetyl-thiazolidine-4-carboxylic acid;24877-72-3;4-Thiazolidinecarboxylic acid, 3-acetyl-;N-Acetylthiazolidine-4-carboxylic acid;Acetylthiazolidinecarboxylic acid;N-ATC;N-Acetyl-4-thiazolidinecarboxylic acid;3-ACETYL-4-THIAZOLIDINECARBOXYLIC ACID;EINECS 225-713-6;NSC 146111;N-acetyl-thiazolidine-4-carboxylic acid;MFCD00038440;ChemDiv2_000828;MLS000035739;SCHEMBL1444662;CHEMBL1400300;2-methyl-4-pyrimidinecarbaldehyde;DTXSID30863483;HMS1371F14;HMS2179O05;MFCD00070139;NSC146111;STL527633;N-acetyl-4-carboxy-1,3-thiazolidine;AKOS000189251;AKOS016842986;NSC-146111;SB44324;DS-14413;SMR000012081;SY111561;3-acetyl-1,3-thiazolane-4-carboxylic acid;3-acetyl-1,3-thiazolidine-4-carboxylicacid;HY-112107;CS-0043356;EU-0079037;FT-0603667;FT-0659877;EN300-56202;F17225;A828032;SR-01000498328;SR-01000498328-1;W-108996;F0918-2638;Z316101354

Chemical Property of 3-Acetylthiazolidine-4-carboxylic acid

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 6.21E-09mmHg at 25°C
• Melting Point: 55-59 °C
• Refractive Index: 1.58
• Boiling Point: 439 °C at 760 mmHg
• PKA: 3.27±0.20(Predicted)
• Flash Point: 219.3 °C
• PSA: 82.91000
• Density: 1.427 g/cm³
• LogP: -0.06970
• Storage Temp.: 2-8°C
• Water Solubility.: 113.2g/L at 20℃
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 175.03031432
• Heavy Atom Count: 11
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

3-Acetyl-thiazolidine-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CSCC1C(=O)O
• Uses: 3-Acetyl-4-thiazolidinecarboxylic acid is a reactant in the reaction of cyclic N-acyl-α-amino acids with N-(phenylmethylene)benzenesulfonamide.

Technology Process of 3-Acetylthiazolidine-4-carboxylic acid

There total 4 articles about 3-Acetylthiazolidine-4-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:

acetic anhydride (108-24-7) + (RS)-4-thiazolidinecarboxylic acid (444-27-9,19291-02-2,34592-47-7,45521-09-3,2756-91-4,6070-92-4,60731-25-1) → N-acetyl-thiazolidine-4-carboxylic acid (5025-82-1,24877-72-3,104527-63-1) + 4-carboxy-1,3-thiazolidinium acetate (1156496-63-7)

Guidance literature:

acetic anhydride; (RS)-4-thiazolidinecarboxylic acid; In ethanol; at 22 ℃; for 5 - 24h; Heating / reflux;

(RS)-4-thiazolidinecarboxylic acid; pH=5.5 - 6; Product distribution / selectivity;

Reference yield:

acetic anhydride (108-24-7) + L-thioproline (34592-47-7,2756-91-4,6070-92-4,60731-25-1) → N-acetyl-thiazolidine-4-carboxylic acid (5025-82-1,24877-72-3,104527-63-1)

Guidance literature:

In water;

DOI:10.1021/jm00230a004

Reference yield:

acetic anhydride (108-24-7) + (RS)-4-thiazolidinecarboxylic acid (444-27-9,19291-02-2,34592-47-7,45521-09-3,2756-91-4,6070-92-4,60731-25-1) → N-acetyl-thiazolidine-4-carboxylic acid (5025-82-1,24877-72-3,104527-63-1)

Guidance literature:

at 50 ℃; for 1h;

DOI:10.1021/jm00394a030

upstream raw materials:

acetic anhydride

L-thioproline

(RS)-4-thiazolidinecarboxylic acid

Refernces

• 1、 Anderson, Wayne K.,Mach, Robert H.. "Synthesis, Chemical Reactivity, and Antileukemic Activity of 5-Substituted 6,7-Bis(hydroxymethyl)pyrrolothiazole Biscarbamates and the Corresponding Sulfoxides and Sulfones". . p. 2109 - 2115. Retrieved 2007/10/02.