Product Name

  • Name

    METHYL 2-AMINO-4-THIAZOLEACETATE

  • EINECS
  • CAS No. 64987-16-2
  • Article Data13
  • CAS DataBase
  • Density 1.353 g/cm3
  • Solubility
  • Melting Point 112-116 °C(lit.)
  • Formula C6H8N2O2S
  • Boiling Point 307.3 °C at 760 mmHg
  • Molecular Weight 172.208
  • Flash Point 139.7 °C
  • Transport Information
  • Appearance
  • Safety 26-39
  • Risk Codes 37/38-41
  • Molecular Structure Molecular Structure of 64987-16-2 (METHYL 2-AMINO-4-THIAZOLEACETATE)
  • Hazard Symbols IrritantXi
  • Synonyms 2-Amino-4-thiazoleaceticacid methyl ester;Methyl (2-amino-4-thiazole)acetate;Methyl(2-aminothiazol-4-yl)acetate;
  • PSA 93.45000
  • LogP 1.02200

Synthetic route

methanol
67-56-1

methanol

2-amino-4-thiazoleacetic acid
29676-71-9

2-amino-4-thiazoleacetic acid

(2-amino-thiazol-4-yl)-acetic acid methyl ester
64987-16-2

(2-amino-thiazol-4-yl)-acetic acid methyl ester

Conditions
ConditionsYield
Stage #1: methanol; 2-amino-4-thiazoleacetic acid With sulfuric acid In methanol at 0℃; Reflux;
Stage #2: With sodium hydrogencarbonate pH=8 - 9;		93%
Stage #1: methanol; 2-amino-4-thiazoleacetic acid With sulfuric acid at 0 - 5℃; for 5h; Heating / reflux;
Stage #2: With sodium hydrogencarbonate In water pH=8 - 9;		93%
With thionyl chloride for 12h;91%
Methyl 4-chloroacetoacetate
32807-28-6

Methyl 4-chloroacetoacetate

thiourea
17356-08-0

thiourea

(2-amino-thiazol-4-yl)-acetic acid methyl ester
64987-16-2

(2-amino-thiazol-4-yl)-acetic acid methyl ester

Conditions
ConditionsYield
In ethanol Reflux;89.5%
With ethanol Reflux;89.5%
In ethanol for 4h; Heating;
2-amino-4-thiazoleacetic acid
29676-71-9

2-amino-4-thiazoleacetic acid

diazomethyl-trimethyl-silane
18107-18-1

diazomethyl-trimethyl-silane

(2-amino-thiazol-4-yl)-acetic acid methyl ester
64987-16-2

(2-amino-thiazol-4-yl)-acetic acid methyl ester

Conditions
ConditionsYield
In methanol; benzene at 20℃;
trityl chloride
76-83-5

trityl chloride

(2-amino-thiazol-4-yl)-acetic acid methyl ester
64987-16-2

(2-amino-thiazol-4-yl)-acetic acid methyl ester

methyl 2-tritylamino-4-thiazolylacetate
78287-71-5

methyl 2-tritylamino-4-thiazolylacetate

Conditions
ConditionsYield
With triethylamine In dichloromethane for 15h;96%
(2-amino-thiazol-4-yl)-acetic acid methyl ester
64987-16-2

(2-amino-thiazol-4-yl)-acetic acid methyl ester

methyl iodide
74-88-4

methyl iodide

methyl (2-imino-3-methyl-2,3-dihydrothiazol-4-yl)acetate hydroiodide
1586872-68-5

methyl (2-imino-3-methyl-2,3-dihydrothiazol-4-yl)acetate hydroiodide

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 72h;93%
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

(2-amino-thiazol-4-yl)-acetic acid methyl ester
64987-16-2

(2-amino-thiazol-4-yl)-acetic acid methyl ester

methyl 2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetate
103053-96-9

methyl 2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetate

Conditions
ConditionsYield
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 90℃;79%
In toluene at 85℃; for 24h;
In toluene at 85℃; for 24h;
at 85℃; for 24h;
4,5-dibromopyrrol-2-yl trichloromethyl ketone
50371-52-3

4,5-dibromopyrrol-2-yl trichloromethyl ketone

(2-amino-thiazol-4-yl)-acetic acid methyl ester
64987-16-2

(2-amino-thiazol-4-yl)-acetic acid methyl ester

methyl 2-(2-(4,5-dibromo-1H-pyrrole-2-carboxamido)thiazol-4-yl)acetate

methyl 2-(2-(4,5-dibromo-1H-pyrrole-2-carboxamido)thiazol-4-yl)acetate

Conditions
ConditionsYield
Stage #1: (2-amino-thiazol-4-yl)-acetic acid methyl ester With sodium carbonate In N,N-dimethyl-formamide
Stage #2: 4,5-dibromopyrrol-2-yl trichloromethyl ketone In N,N-dimethyl-formamide at 80℃;		77%
Stage #1: (2-amino-thiazol-4-yl)-acetic acid methyl ester With sodium carbonate In N,N-dimethyl-formamide at 20℃; for 0.25h;
Stage #2: 4,5-dibromopyrrol-2-yl trichloromethyl ketone In N,N-dimethyl-formamide at 80℃;		77%

Methyl 2-amino-4-thiazoleacetate Specification

The CAS register number of 4-Thiazoleacetic acid,2-amino-, methyl ester is 64987-16-2. It also can be called as 4-Thiazoleacetic acid,2-amino-, methyl ester and the systematic name about this chemical is methyl (2-amino-1,3-thiazol-4-yl)acetate. The molecular formula about this chemical is C6H8N2O2S and the molecular weight is 172.2. It belongs to the following product categories which include Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Thiazoles and so on.

Physical properties about 4-Thiazoleacetic acid,2-amino-, methyl ester are: (1)ACD/LogP: 0.13; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1.1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 70.67 Å2; (10)Index of Refraction: 1.589; (11)Molar Refractivity: 42.92 cm3; (12)Molar Volume: 127.2 cm3; (13)Polarizability: 17.01x10-24cm3; (14)Surface Tension: 58.2 dyne/cm; (15)Density: 1.353 g/cm3; (16)Flash Point: 139.7 °C; (17)Enthalpy of Vaporization: 54.79 kJ/mol; (18)Boiling Point: 307.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00073 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to respiratory system and skin. There is risk of serious damage to the eyes. If you want to use this chemical, wear eye / face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)Cc1nc(sc1)N
(2)InChI: InChI=1/C6H8N2O2S/c1-10-5(9)2-4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)
(3)InChIKey: XTQKFBGFHDNUFY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H8N2O2S/c1-10-5(9)2-4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)
(5)Std. InChIKey: XTQKFBGFHDNUFY-UHFFFAOYSA-N

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