4-Thiazoleacetic acid, 2-amino-, methyl ester


Chemical Name: 4-Thiazoleacetic acid, 2-amino-, methyl ester
CAS Number: 64987-16-2
Product Number: AG00IBFM(AGN-PC-0JVP6T)
Synonyms:
MDL No:
Molecular Formula: C6H8N2O2S
Molecular Weight: 172.2049

Identification/Properties


Properties
MP:
112-116 °C(lit.)
BP:
307.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
172.202g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
172.031g/mol
Monoisotopic Mass:
172.031g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
154
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Methyl 2-(2-aminothiazol-4-yl)acetate is a versatile compound commonly utilized in chemical synthesis for its functional properties and reactivity. This compound serves as a key building block in the production of various pharmaceuticals, agrochemicals, and other fine chemicals. Its unique structure containing an amino-thiazole ring and an acetate group confers specific chemical attributes that are instrumental in the creation of complex organic molecules. When employed in synthetic pathways, Methyl 2-(2-aminothiazol-4-yl)acetate can participate in diverse reactions such as acylation, condensation, and substitution, allowing for the formation of structurally diverse compounds. Its role in chemical synthesis extends to the creation of drug candidates, crop protection agents, and advanced materials, highlighting its significance in the field of organic chemistry.