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| CAS No.: | 7425-63-0 |
|---|---|
| Name: | Methyl Bromopyruvate |
| Article Data: | 10 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H5 Br O3 |
| Molecular Weight: | 180.986 |
| Synonyms: | Pyruvicacid, bromo-, methyl ester (6CI,7CI,8CI); Methyl 3-bromo-2-oxopropanoate;Methyl bromopyruvate; NSC 526776 |
| Density: | 1.70 |
| Melting Point: | 5°C(lit.) |
| Boiling Point: | 186.8oC at 760 mmHg |
| Flash Point: | 125oC |
| Hazard Symbols: |
|
| Risk Codes: | R36/37/38 |
| Safety: | S26;S36 |
| PSA: | 43.37000 |
| LogP: | 0.12340 |
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(S)-Methyl lactate
- 7425-63-0
methyl 3-bromo-2-oxopropanoate
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide In tetrachloromethane for 6h; Reflux; | 61% |
| Conditions | Yield |
|---|---|
| With tetrachloromethane; bromine am Licht; | |
| With pyridine; bromine at 40 - 50℃; | |
| With bromine at 65℃; unter Durchleiten von CO2; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 20℃; for 15h; | |
| hydrogenchloride In water at 30 - 40℃; for 9h; |
- 7425-63-0
methyl 3-bromo-2-oxopropanoate
| Conditions | Yield |
|---|---|
| With pyridine In ethanol at 80℃; for 3.5h; Inert atmosphere; | 100% |
- 7425-63-0
methyl 3-bromo-2-oxopropanoate
- 101924-70-3
(R)-methyl 2-(1-(tert-butoxycarbonylamino)-2-phenylethyl)thiazole-4-carboxylate
| Conditions | Yield |
|---|---|
| With calcium carbonate In ethanol at 20℃; Hantzsch cyclization; Inert atmosphere; | 99% |
- 7425-63-0
methyl 3-bromo-2-oxopropanoate
- 17356-08-0
thiourea
- 118452-04-3
methyl 2-amino-1,3-thiazole-4-carboxylate
| Conditions | Yield |
|---|---|
| In methanol for 2h; Hantzsch Thiazole Synthesis; Reflux; | 93% |
- 7425-63-0
methyl 3-bromo-2-oxopropanoate
- 73956-15-7
2,2-diethoxythioacetamide
| Conditions | Yield |
|---|---|
| In methanol for 1.5h; Molecular sieve; Reflux; | 91% |
| With hydrogenchloride In methanol; water at 65℃; for 3.25h; Molecular sieve; |
| Conditions | Yield |
|---|---|
| In toluene Reflux; | 90% |
- 7425-63-0
methyl 3-bromo-2-oxopropanoate
- 71368-35-9
6-methoxybenzo[d]thiazole-2-carbothioamide
- 7775-89-5
2-(6-methoxy-benzothiazol-2-yl)-thiazole-4-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 39h; Reflux; | 88% |
| In methanol |
- 7425-63-0
methyl 3-bromo-2-oxopropanoate
| Conditions | Yield |
|---|---|
| Stage #1: methyl 3-bromo-2-oxopropanoate; (S)-N-(tert-butoxycarbonyl)-O-(tert-butyldiphenylsilyl)serinethioamide With potassium hydrogencarbonate In 1,2-dimethoxyethane at 0 - 20℃; Stage #2: With 2,6-dimethylpyridine; trifluoroacetic anhydride In 1,2-dimethoxyethane at 0 - 20℃; | 88% |
| Stage #1: methyl 3-bromo-2-oxopropanoate; (S)-N-(tert-butoxycarbonyl)-O-(tert-butyldiphenylsilyl)serinethioamide With potassium hydrogencarbonate In 1,2-dimethoxyethane at 0 - 20℃; for 3h; Stage #2: With 2,6-dimethylpyridine; trifluoroacetic anhydride In 1,2-dimethoxyethane at 0℃; for 1h; | 88% |
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Chemistry
Molecular Structure of Methyl bromopyruvate (7425-63-0):
IUPAC Name: Methyl 3-bromo-2-oxopropanoate
Molecular Formula: C4H5BrO3
Molecular Weight: 180.9847 g/mol
XLogP3-AA: 0.8
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: COC(=O)C(=O)CBr
InChI: InChI=1S/C4H5BrO3/c1-8-4(7)3(6)2-5/h2H2,1H3
InChIKey: MQONVZMIFQQQHA-UHFFFAOYSA-N
Index of Refraction: 1.467 Molar
Refractivity: 30.11 cm3
Molar Volume: 108.3 cm3
Surface Tension: 40.4 dyne/cm
Density: 1.67 g/cm3
Flash Point: 66.8 °C
Boiling Point: 186.8 °C at 760 mmHg
Enthalpy of Vaporization: 42.31 kJ/mol
Vapour Pressure: 0.65 mmHg at 25 °C
Water Solubility: mg/L at 25 °C
Refractive Index: n20/D 1.480
Storage Temp.: 2-8°C
Safety Profile
Safety Information of Methyl bromopyruvate (7425-63-0):
Hazard Codes: Xi .gif){kind=small}
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3
F: 19
Specification
Methyl bromopyruvate (7425-63-0) can be soluble in many organic solvents which is also called for Methyl 3-bromo-2-oxopropanoate ; 2-Oxo-3-bromopropionic acid methyl ester ; 3-Bromo-2-oxopropionic acid methyl ester . It can be used as pharmaceutical intermediate, pharmaceutical raw material, mainly used to manufacture Thiabendazole .