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Cas Database |
| Name |
2-Acetoxy-2-methylpropionyl bromide |
EINECS | -0 |
| CAS No. | 40635-67-4 | Density | 1.478 g/cm3 |
| PSA | 43.37000 | LogP | 1.24960 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H9BrO3 | Boiling Point | 190.4 °C at 760 mmHg |
| Molecular Weight | 209.04 | Flash Point | 72.2 °C |
| Transport Information | UN 3265 8/PG 2 | Appearance | clear to light yellow liquid |
| Safety | 26-36/37/39-45 | Risk Codes | 14-34-37 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
2-Acetoxyisobutyrylbromide;Mattock's bromide;a-Acetoxyisobutyryl bromide; |
Article Data | 2 |
2-Acetoxy-2-methylpropionyl bromide Synthetic route
- 40635-66-3
2-acetoxy-2-methylpropanoyl chloride
- 40635-67-4
acetoxyisobutyryl bromide
| Conditions | Yield |
|---|---|
| With lithium bromide In ethyl acetate at 80℃; for 2h; | 52% |
| With lithium bromide |
- 15805-98-8
O-acetyl-α-hydroxyisobutyric acid
- 40635-67-4
acetoxyisobutyryl bromide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: thionyl chloride / 2 h / Heating 2: 52 percent / LiBr / ethyl acetate / 2 h / 80 °C View Scheme |
- 40635-67-4
acetoxyisobutyryl bromide
- 219649-71-5
1-(4-C-trifluoromethyl-β-D-ribo-furanosyl)triazole
- 219649-72-6
1-<5-O-(2-acetoxy-2-methylpropanoyl)-3-O-acetyl-2-bromo-2-deoxy-4-C-trifluoromethyl-β-D-ribo-furanosyl>triazole
| Conditions | Yield |
|---|---|
| at 100℃; for 2h; | 100% |
- 40635-67-4
acetoxyisobutyryl bromide
- 219649-65-7
9-(4-C-trifluoromethyl-β-D-ribo-furanosyl)-6-methoxypurine
- 219649-66-8
5'-O-(2-acetoxy-2-methylpropanoyl)-3'-O-acetyl-2'-bromo-2'-deoxy-4'-C-(trifluoromethyl)inosine
| Conditions | Yield |
|---|---|
| at 100℃; overnight; | 98% |
- 40635-67-4
acetoxyisobutyryl bromide
- 1431975-46-0
(+)-(1S,2R)-1-acetoxy-2-bromo-3-fluorocyclohex-3-ene
| Conditions | Yield |
|---|---|
| In acetonitrile at 0 - 20℃; for 2.5h; | 96% |
- 40635-67-4
acetoxyisobutyryl bromide
- 176166-15-7
cis-(1S,2S)-1,2-dihydroxy-3-chlorocyclohex-3-ene
- 1431975-48-2
(+)-(1S,2R)-1-acetoxy-2-bromo-3-chlorocyclohex-3-ene
| Conditions | Yield |
|---|---|
| In acetonitrile at 0 - 20℃; for 2.5h; | 95% |
- 40635-67-4
acetoxyisobutyryl bromide
- 176166-16-8
cis-(1S,2S)-1,2-dihydroxy-3-iodocyclohex-3-ene
- 1431975-51-7
(+)-(1S,2R)-1-acetoxy-2-bromo-3-iodocyclohex-3-ene
| Conditions | Yield |
|---|---|
| In acetonitrile at 0 - 20℃; for 2.5h; | 94% |
- 40635-67-4
acetoxyisobutyryl bromide
- 316172-90-4
3-(2,3-dihydroxy-3-methyl-butyl)-4-methoxy-1H-quinolin-2-one
- 316172-92-6
(-)-(S)-4-methoxy-3-(2'-acetoxy-3'-bromo-3'-methylbutyl)quinolin-2(1H)-one
| Conditions | Yield |
|---|---|
| In acetonitrile at 0℃; for 3h; Acetylation; | 93% |
- 828295-32-5
3,4-cis-tetrahydrodiol
- 40635-67-4
acetoxyisobutyryl bromide
- 1431975-55-1
(+)-(1S,2S)-1-acetoxy-2,4-dibromocyclohex-3-ene
| Conditions | Yield |
|---|---|
| In acetonitrile at 0 - 20℃; for 2.5h; | 92% |
- 40635-67-4
acetoxyisobutyryl bromide
- 183134-54-5
(1S,4S,5R)-1-Benzyloxycarbonyloxy-4,5-dihydroxy-cyclohex-2-enecarboxylic acid methyl ester
- 183134-55-6
(1S,4R,5R)-5-Acetoxy-1-benzyloxycarbonyloxy-4-bromo-cyclohex-2-enecarboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| In acetonitrile at 0℃; for 0.5h; | 91% |
2-Acetoxy-2-methylpropionyl bromide Chemical Properties
Molecular Structure of Propanoyl bromide,2-(acetyloxy)-2-methyl- (CAS No.40635-67-4):
Molecular Formula: C6H9BrO3
Molecular Weight: 209.0379
CAS No: 40635-67-4
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.468
Molar Refractivity: 39.34 cm3
Molar Volume: 141.4 cm3
Surface Tension: 36.6 dyne/cm
Density: 1.478 g/cm3
Flash Point: 72.2 °C
Enthalpy of Vaporization: 42.66 kJ/mol
Boiling Point: 190.4 °C at 760 mmHg
Vapour Pressure: 0.542 mmHg at 25°C
Systematic Name: 2-Bromo-1,1-dimethyl-2-oxoethyl acetate
InChI: InChI=1/C6H9BrO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3
InChIKey: OOKAXSHFTDPZHP-UHFFFAOYAE
Std. InChI: InChI=1S/C6H9BrO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3
Std. InChIKey: OOKAXSHFTDPZHP-UHFFFAOYSA-N
Product Categories: Pharmaceutical Intermediates
2-Acetoxy-2-methylpropionyl bromide Safety Profile
Hazard Codes: 
C
Risk Statements: 14-34-37
R14 :Reacts violently with water.
R34:Causes burns.
R37:Irritating to respiratory system
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
F: 10-19
HazardClass: 8
PackingGroup: II
2-Acetoxy-2-methylpropionyl bromide Specification
Propanoyl bromide,2-(acetyloxy)-2-methyl- (CAS No.40635-67-4), its synonym is 1-Bromocarbonyl-1-methylethyl acetate; 2-Acetoxyisobutyryl bromide .
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