3-(2-Thiazolyl)propionic acid

Base Information

• Chemical Name: 3-(2-Thiazolyl)propionic acid
• CAS No.: 144163-65-5
• Molecular Formula: C6H7NO2S
• Molecular Weight: 157.193
• Hs Code.: 2934100090
• European Community (EC) Number: 672-551-0
• DSSTox Substance ID: DTXSID60375261
• Wikidata: Q82163788
• Mol file: 144163-65-5.mol

Synonyms:3-(2-Thiazolyl)propionic acid;144163-65-5;3-(1,3-thiazol-2-yl)propanoic Acid;2-Thiazolepropanoic acid;3-(THIAZOL-2-YL)PROPANOIC ACID;3-thiazol-2-yl-propionic acid;MFCD02683062;R9M;3-(2-Thiazolyl)propionicacid;SCHEMBL992041;DTXSID60375261;OJTQVDTVCPIZQH-UHFFFAOYSA-N;AKOS005146471;AC-6475;CS-W002963;AS-39191;SY019802;A3123;AM20080334;FT-0600778;EN300-50490;J-510550;Z381407426

Chemical Property of 3-(2-Thiazolyl)propionic acid

Chemical Property:

• Vapor Pressure: 0.000265mmHg at 25°C
• Melting Point: 126-127 °C
• Refractive Index: 1.577
• Boiling Point: 310.049 °C at 760 mmHg
• PKA: 4.22±0.10(Predicted)
• Flash Point: 141.313 °C
• PSA: 78.43000
• Density: 1.354 g/cm³
• LogP: 1.16030
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 157.01974964
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

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

3-(2-Thiazolyl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=N1)CCC(=O)O

Technology Process of 3-(2-Thiazolyl)propionic acid

There total 1 articles about 3-(2-Thiazolyl)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: 94.0%

3-thiazol-2-yl-acrylic acid (52396-77-7) → 3-(thiazol-2-yl)propanoic acid (144163-65-5)

Guidance literature:

With hydrogen; 5% palladium on carbon; In ethanol; for 6h; under 760.051 Torr;

Reference yield: 53.0%

3-(thiazol-2-yl)propanoic acid (144163-65-5) + N2-[4-(2-chloroethyl)phenyl]-4,6-dimethyl-2,3-pyridinediamine (415908-03-1) → 3-[4-(2-chloroethyl)phenyl]-5,7-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine

Guidance literature:

3-(thiazol-2-yl)propanoic acid; N₂-[4-(2-chloroethyl)phenyl]-4,6-dimethyl-2,3-pyridinediamine; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃;

In toluene; at 150 ℃; for 5h;

Reference yield: 29.0%

3-(thiazol-2-yl)propanoic acid (144163-65-5) + 3-(6-(pyrrolidin-1-yl)pyridazin-3-yl)aniline → N-(3-(6-(pyrrolidin-1-yl)pyridazin-3-yl)phenyl)-3-(thiazol-2-yl)propanamide

Guidance literature:

3-(thiazol-2-yl)propanoic acid; With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 0 ℃; for 0.166667h;

3-(6-(pyrrolidin-1-yl)pyridazin-3-yl)aniline; In dichloromethane; at 0 - 20 ℃; for 16h;

upstream raw materials:

3-thiazol-2-yl-acrylic acid

Downstream raw materials:

3-thiazol-2-yl-propionic acid amide

3-<1-oxo-3-(2-thiazolyl)propyl>-4(S)-(phenylmethyl)-2-oxazolidinone

Refernces