(2-Amino-4-thiophen-2-yl-thiazol-5-yl)-acetic acid

Base Information

• Chemical Name: (2-Amino-4-thiophen-2-yl-thiazol-5-yl)-acetic acid
• CAS No.: 300814-88-4
• Molecular Formula: C₉H₈N₂O₂S₂
• Molecular Weight: 240.307
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50364467
• ChEMBL ID: CHEMBL1347989
• Mol file: 300814-88-4.mol

Synonyms:300814-88-4;2-(2-Amino-4-(thiophen-2-yl)thiazol-5-yl)acetic acid;(2-Amino-4-thiophen-2-yl-thiazol-5-yl)-acetic acid;2-[2-amino-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid;2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid;[2-amino-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid;Oprea1_178760;CBDivE_007398;MLS000716109;IFLab1_001031;CHEMBL1347989;DTXSID50364467;HMS1414O19;HMS2661N17;BBL028759;MFCD00562965;STK645303;AKOS000272781;AT12755;NS-03359;SMR000277626;EN300-40621;SR-01000323414;SR-01000323414-1;2-(2-Amino-4-(thiophen-2-yl)thiazol-5-yl)aceticacid;F0239-0030

Chemical Property of (2-Amino-4-thiophen-2-yl-thiazol-5-yl)-acetic acid

Chemical Property:

• PSA: 132.69000
• Density: 1.534
• LogP: 2.66210
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 240.00271985
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

97% ^*data from raw suppliers

(2-Amino-4-thiophen-2-yl-thiazol-5-yl)-acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C2=C(SC(=N2)N)CC(=O)O

Technology Process of (2-Amino-4-thiophen-2-yl-thiazol-5-yl)-acetic acid

There total 5 articles about (2-Amino-4-thiophen-2-yl-thiazol-5-yl)-acetic 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:

C11H12N2O2S2 (685563-46-6) → 2-(2-amino-4-(thiophen-2-yl)thiazol-5-yl)acetic acid (300814-88-4)

Guidance literature:

With lithium hydroxide; In water; acetonitrile; at 100 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1016/j.ejphar.2014.01.029

Reference yield:

4-oxo-4-thiophen-2-yl-butyric acid (4653-08-1) → 2-(2-amino-4-(thiophen-2-yl)thiazol-5-yl)acetic acid (300814-88-4)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform; bromine

2: isopropyl alcohol

With chloroform; bromine; isopropyl alcohol;

DOI:10.1039/jr9450000455

Reference yield:

ethyl 4-oxo-4-(thiophen-2-yl)butanoate (59086-25-8) → 2-(2-amino-4-(thiophen-2-yl)thiazol-5-yl)acetic acid (300814-88-4)

Guidance literature:

Multi-step reaction with 3 steps

1: bromine / dichloromethane / 1.5 h / 0 °C / Inert atmosphere

2: dichloromethane / 20 h / 20 °C / Reflux; Inert atmosphere

3: lithium hydroxide / water; acetonitrile / 0.33 h / 100 °C / Microwave irradiation

With bromine; lithium hydroxide; In dichloromethane; water; acetonitrile;

DOI:10.1016/j.ejphar.2014.01.029

upstream raw materials:

3-bromo-4-oxo-4-thiophen-2-yl-butyric acid

thiourea

4-oxo-4-thiophen-2-yl-butyric acid

C₁₁H₁₂N₂O₂S₂