4(5H)-Thiazolone, 2-amino-

Base Information

• Chemical Name: 4(5H)-Thiazolone, 2-amino-
• CAS No.: 556-90-1
• Molecular Formula: C3H4 N2 O S
• Molecular Weight: 116.144
• Hs Code.: 29349990
• European Community (EC) Number: 209-145-6
• NSC Number: 45956,2858
• Nikkaji Number: J13.750B
• Mol file: 556-90-1.mol

Synonyms:2-iminothiazolidin-4-one

Chemical Property of 4(5H)-Thiazolone, 2-amino-

Chemical Property:

• Appearance/Colour: white to light yellow powder
• Vapor Pressure: 0.0182mmHg at 25°C
• Melting Point: 249 °C (dec.)(lit.)
• Refractive Index: 1.6550 (estimate)
• Boiling Point: 253.5 °C at 760 mmHg
• PKA: 0.54±0.20(Predicted)
• Flash Point: 107.1 °C
• PSA: 80.75000
• Density: 1.78 g/cm³
• LogP: -0.28960
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.00443393
• Heavy Atom Count: 7
• Complexity: 131

Purity/Quality:

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

2-Amino-4-hydroxythiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C(=O)N=C(S1)N
• Uses: 2-Amino-4,5-dihydro-1,3-thiazol-4-one, HCl

Technology Process of 4(5H)-Thiazolone, 2-amino-

There total 49 articles about 4(5H)-Thiazolone, 2-amino- 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: 92.0%

chloroacetic acid ethyl ester (105-39-5) + thiourea (17356-08-0) → pseudothiohydantoin (556-90-1)

Guidance literature:

thiourea; In ethanol; for 0.166667h; Reflux;

chloroacetic acid ethyl ester; In ethanol; for 3h; Reflux;

Reference yield: 80.0%

chloroacetic acid ethyl ester (105-39-5) + thiourea (17356-08-0) → pseudothiohydantoin (556-90-1,884380-87-4)

Guidance literature:

chloroacetic acid ethyl ester; thiourea; In ethanol; for 3h; Reflux;

With sodium acetate trihydrate; In water; Reflux;

DOI:10.1016/j.ejmech.2013.07.006

Reference yield: 78.0%

CYANAMID (420-04-2) + Methyl thioglycolate (2365-48-2) → pseudothiohydantoin (556-90-1,884380-87-4)

Guidance literature:

With triethylamine; In methanol; for 18h; Ambient temperature;

upstream raw materials:

diazoacetic acid ethyl ester

ethanol

thiourea

α-thiocyanato-acetic acid amide

Downstream raw materials:

2-amino-5-[(Z)-furfurylidene-thiazol-4-one

2-thioxo-4-thiazolidinone

thiazoline-2,4-dione

mercaptoacetic acid

Refernces

• 1、 George, Ginson,Auti, Prashant S.,Paul, Atish T.. "Design, synthesis,: In silico molecular modelling studies and biological evaluation of novel indole-thiazolidinedione hybrid analogues as potential pancreatic lipase inhibitors". . p. 1381 - 1394. Retrieved 2021/02/06.
• 2、 Hassan, Ghaneya S.,Georgey, Hanan H.,Mohammed, Esraa Z.,Omar, Farghaly A.. "Anti-hepatitis-C virus activity and QSAR study of certain thiazolidinone and thiazolotriazine derivatives as potential NS5B polymerase inhibitors". . . Retrieved 2019/10/10.