3-(2,4-Dioxo-thiazolidin-3-yl)-propionic acid

Base Information

• Chemical Name: 3-(2,4-Dioxo-thiazolidin-3-yl)-propionic acid
• CAS No.: 49629-36-9
• Molecular Formula: C₆H₇NO₄S
• Molecular Weight: 189.192
• DSSTox Substance ID: DTXSID00365686
• Wikidata: Q82150559
• Mol file: 49629-36-9.mol

Synonyms:49629-36-9;3-(2,4-Dioxo-thiazolidin-3-yl)-propionic acid;3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoic acid;3-(2,4-Dioxothiazolidin-3-yl)propanoic acid;BAS 04894971;3-(2,4-Dioxo-thiazolidin-3-yl)propionic acid;TRIETHANOLAMINELAURATE;SCHEMBL5199106;DTXSID00365686;HMS1688N03;ZBA62936;STK741080;AKOS000142157;3-(2,4-Dioxothiazolidin-3-yl)propanoicacid;CS-0266523;FT-0677250;3-(2,4-dioxo-thiazolidin-3-yl)propanoic acid;A913995;Z57179905;F1463-0275;3-(2,4-dioxo-thiazolidin-3-yl)-propionic acid, AldrichCPR

Chemical Property of 3-(2,4-Dioxo-thiazolidin-3-yl)-propionic acid

Chemical Property:

• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 189.00957888
• Heavy Atom Count: 12
• Complexity: 240

Purity/Quality:

98%Min ^*data from raw suppliers

3-(2,4-Dioxo-thiazolidin-3-yl)-propionic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-36

MSDS Files:

Useful:

• Canonical SMILES: C1C(=O)N(C(=O)S1)CCC(=O)O

Technology Process of 3-(2,4-Dioxo-thiazolidin-3-yl)-propionic acid

There total 3 articles about 3-(2,4-Dioxo-thiazolidin-3-yl)-propionic 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: 93.0%

C7H9NO4S (1033700-43-4) → 3-(2,4-dioxo-thiazolidin-3-yl)-propionic acid (49629-36-9)

Guidance literature:

With hydrogen bromide; In water; at 110 ℃; for 4h; Reflux;

Reference yield:

C10H15NO4S (883904-99-2) → 3-(2,4-dioxo-thiazolidin-3-yl)-propionic acid (49629-36-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2008.03.079

Reference yield:

→ 3-(2,4-dioxo-thiazolidin-3-yl)-propionic acid (49629-36-9)

Guidance literature:

Nitril IIa, AcOH, konz. HCl;

upstream raw materials:

C₁₀H₁₅NO₄S

C₇H₉NO₄S

Refernces

• 1、 Xie, Yuli,Liu, Yidong,Gong, Gangli,Rinderspacher, Alison,Deng, Shi-Xian,Smith, Deborah H.,Toebben, Udo,Tzilianos, Effie,Branden, Lars,Vidovic, Dusica,Chung, Caty,Schuerer, Stephan,Tautz, Lutz,Landry, Donald W.. "Discovery of a novel submicromolar inhibitor of the lymphoid specific tyrosine phosphatase". . p. 2840 - 2844. Retrieved 2008/12/21.