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CAS No.: | 64485-82-1 |
---|---|
Name: | Ethyl 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetate |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C7H9N3O3S |
Molecular Weight: | 215.233 |
Synonyms: | 4-Thiazoleaceticacid, 2-amino-a-(hydroxyimino)-,ethyl ester, (Z)-;Ethyl (Z)-2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate; |
EINECS: | 264-910-1 |
Density: | 1.56 g/cm3 |
Melting Point: | 195-197 °C |
Boiling Point: | 426.8 °C at 760 mmHg |
Flash Point: | 211.9 °C |
Appearance: | light yellow to beige fine powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39-24/25 |
PSA: | 126.04000 |
LogP: | 1.04790 |
thiourea
ethyl 4-chloro-2-hydroxyimino-3-oxo-butyrate
(Z)-ethyl 2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate
Conditions | Yield |
---|---|
In ethanol; water at 20℃; for 1h; | |
In N,N-dimethyl acetamide at 20℃; for 3h; | 8.9 g |
ethyl 2-(hydroxyimino)-3-oxybutyrate
(Z)-ethyl 2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: SO2Cl2; glac. AcOH / 1 h / 58 - 60 °C 2: 8.9 g / N,N-dimethyl-acetamide / 3 h / 20 °C View Scheme | |
With sulfuryl dichloride; thiourea; 2,3-Dimethylaniline In diethyl ether; ethanol; dichloromethane |
ethyl acetoacetate
(Z)-ethyl 2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: aq. NaNO2; glac. AcOH / 0.5 h / 10 °C 2: SO2Cl2; glac. AcOH / 1 h / 58 - 60 °C 3: 8.9 g / N,N-dimethyl-acetamide / 3 h / 20 °C View Scheme |
ethyl acetoacetate
(Z)-ethyl 2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: sodium nitrite; acetic acid / water / 3.7 h / 20 °C 2.1: sulfuric acid / water; methanol; ethanol / 15 - 20 °C 2.2: 3407 / 2.5 h / 20 - 28 °C View Scheme |
ethyl 2-(hydroxyimino)-3-oxybutyrate
thiourea
(Z)-ethyl 2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate
Conditions | Yield |
---|---|
Stage #1: ethyl 2-(hydroxyimino)-3-oxybutyrate With sulfuric acid In methanol; ethanol; water at 15 - 20℃; Stage #2: thiourea With tetrabutylammomium bromide; potassium carbonate In methanol at 20 - 28℃; for 2.5h; |
trityl chloride
(Z)-ethyl 2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate
ethyl 2-(2-tritylaminothiazol-4-yl)-(Z)-2-(tritylhydroxyimino)acetate
Conditions | Yield |
---|---|
Stage #1: (Z)-ethyl 2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate With triethylamine In acetonitrile at 20 - 25℃; for 0.166667h; Stage #2: trityl chloride In acetonitrile at 55 - 60℃; for 1h; | 99.2% |
With triethylamine In N,N-dimethyl-formamide at 50℃; | 85% |
With triethylamine In N,N-dimethyl-formamide at 50℃; | 85% |
sodium hydrogencarbonate
3-bromopropylamine tert-butylcarbamate
(Z)-ethyl 2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate
Conditions | Yield |
---|---|
With potassium carbonate In water; ethyl acetate; N,N-dimethyl-formamide | 96% |
With potassium carbonate In water; ethyl acetate; N,N-dimethyl-formamide | 96% |
triphenylmethyl alcohol
(Z)-ethyl 2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate
ethyl (2-aminothiazol-4-yl)-2-(Z)-(trityloxyimino)acetate
Conditions | Yield |
---|---|
Stage #1: triphenylmethyl alcohol; (Z)-ethyl 2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate With boron trifluoride diethyl etherate; acetic acid In water; ethyl acetate at -5 - 45℃; for 25.5h; Inert atmosphere; Stage #2: With sodium hydrogencarbonate In water | 92% |
chloroacetyl chloride
(Z)-ethyl 2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate
4-<(Z)-1-Carbethoxy-1-hydroxyimino>methyl-2-chloroacetamidothiazole
Conditions | Yield |
---|---|
In N,N-dimethyl acetamide 1) 30 min., 0 deg C, 2) 30 min., room temper.; | 88% |
Cyclopentyl bromide
(Z)-ethyl 2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate
ethyl (Z)-2-(2-aminothiazol-4-yl)-2-(cyclopentyloxyimino)acetate
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 50℃; for 20h; | 81% |
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Molecular Structure of Ethyl 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetate (CAS NO.64485-82-1):
IUPAC Name: Ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
Empirical Formula: C7H9N3O3S
Molecular Weight: 215.2297
EINECS: 264-910-1
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 5
Polar Surface Area: 92.26 Å2
Index of Refraction: 1.662
Molar Refractivity: 50.99 cm3
Molar Volume: 137.6 cm3
Surface Tension: 63.7 dyne/cm
Density: 1.56 g/cm3
Flash Point: 211.9 °C
Melting point: 195-197 °C(lit.)
Enthalpy of Vaporization: 71.86 kJ/mol
Boiling Point: 426.8 °C at 760 mmHg
Vapour Pressure: 4.8E-08 mmHg at 25 °C
InChI
InChI=1/C7H9N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h3,12H,2H2,1H3,(H2,8,9)/b10-5-
Smiles
CCOC(=O)\C(=N/O)c1csc(n1)N
Product Categories: Pharmaceutical Intermediates; Cephalosporins; Building Blocks; Heterocyclic Building Blocks; Thiazoles
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Ethyl 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetate , with CAS number of 64485-82-1, can be called ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate ; Ethyl 2-amino-alpha-(hydroxyimino)-4-thiazoleacetate ; ehata ; 4-Thiazoleacetic acid, 2-amino-alpha-(hydroxyimino)-, ethyl ester . It is a light yellow to beige fine powder.