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| CAS No.: | 64987-16-2 |
|---|---|
| Name: | METHYL 2-AMINO-4-THIAZOLEACETATE |
| Molecular Structure: | |
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| Formula: | C6H8N2O2S |
| Molecular Weight: | 172.208 |
| Synonyms: | 2-Amino-4-thiazoleaceticacid methyl ester;Methyl (2-amino-4-thiazole)acetate;Methyl(2-aminothiazol-4-yl)acetate; |
| Density: | 1.353 g/cm3 |
| Melting Point: | 112-116 °C(lit.) |
| Boiling Point: | 307.3 °C at 760 mmHg |
| Flash Point: | 139.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 37/38-41 |
| Safety: | 26-39 |
| PSA: | 93.45000 |
| LogP: | 1.02200 |
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- 67-56-1
methanol
- 29676-71-9
2-amino-4-thiazoleacetic acid
- 64987-16-2
(2-amino-thiazol-4-yl)-acetic acid methyl ester
| Conditions | Yield |
|---|---|
| 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% |
- 32807-28-6
Methyl 4-chloroacetoacetate
- 17356-08-0
thiourea
- 64987-16-2
(2-amino-thiazol-4-yl)-acetic acid methyl ester
| Conditions | Yield |
|---|---|
| In ethanol Reflux; | 89.5% |
| With ethanol Reflux; | 89.5% |
| In ethanol for 4h; Heating; |
- 29676-71-9
2-amino-4-thiazoleacetic acid
- 18107-18-1
diazomethyl-trimethyl-silane
- 64987-16-2
(2-amino-thiazol-4-yl)-acetic acid methyl ester
| Conditions | Yield |
|---|---|
| In methanol; benzene at 20℃; |
- 76-83-5
trityl chloride
- 64987-16-2
(2-amino-thiazol-4-yl)-acetic acid methyl ester
- 78287-71-5
methyl 2-tritylamino-4-thiazolylacetate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane for 15h; | 96% |
- 64987-16-2
(2-amino-thiazol-4-yl)-acetic acid methyl ester
- 74-88-4
methyl iodide
- 1586872-68-5
methyl (2-imino-3-methyl-2,3-dihydrothiazol-4-yl)acetate hydroiodide
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; for 72h; | 93% |
- 24424-99-5
di-tert-butyl dicarbonate
- 64987-16-2
(2-amino-thiazol-4-yl)-acetic acid methyl ester
- 103053-96-9
methyl 2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetate
| Conditions | Yield |
|---|---|
| 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; |
- 50371-52-3
4,5-dibromopyrrol-2-yl trichloromethyl ketone
- 64987-16-2
(2-amino-thiazol-4-yl)-acetic acid methyl ester
| Conditions | Yield |
|---|---|
| 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% |
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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