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2-Acetoxy-2-methylpropionyl bromide

  • Name 2-Acetoxy-2-methylpropionyl bromide
  • EINECS-0
  • CAS No. 40635-67-4
  • Density1.478 g/cm3
  • PSA43.37000
  • LogP1.24960
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC6H9BrO3
  • Boiling Point190.4 °C at 760 mmHg
  • Molecular Weight209.04
  • Flash Point72.2 °C
  • Transport InformationUN 3265 8/PG 2
  • Appearanceclear to light yellow liquid
  • Safety26-36/37/39-45
  • Risk Codes14-34-37
  • Molecular Structure
    Molecular Structure of 40635-67-4 (2-Acetoxy-2-methylpropionyl bromide)
  • Hazard SymbolsCorrosiveC
  • SynonymsCorrosiveC
  • Article Data2

2-Acetoxy-2-methylpropionyl bromide Synthetic route

40635-66-3

2-acetoxy-2-methylpropanoyl chloride

40635-67-4

acetoxyisobutyryl bromide

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
at 100℃; overnight;98%

(1S,2S)-1,2-dihydroxy-3-fluorocyclohex-3-ene

40635-67-4

acetoxyisobutyryl bromide

1431975-46-0

(+)-(1S,2R)-1-acetoxy-2-bromo-3-fluorocyclohex-3-ene

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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: CorrosiveC
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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