Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Chlorocarbonyl-1-methylethyl acetate |
EINECS | 255-016-2 |
CAS No. | 40635-66-3 | Density | 1.179 g/cm3 |
PSA | 43.37000 | LogP | 1.09350 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H9ClO3 | Boiling Point | 178.775 °C at 760 mmHg |
Molecular Weight | 164.589 | Flash Point | 68.333 °C |
Transport Information | UN 3265 8/PG 2 | Appearance | Clear colorless liquid |
Safety | 26-36/37/39-45 | Risk Codes | 14-34 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
Lactoylchloride, 2-methyl-, acetate (7CI);1-Chloro-2-methyl-1-oxopropan-2-yl acetate;2-Acetoxy-2-methylpropionyl chloride;2-Acetoxyisobutyroyl chloride;2-Acetoxyisobutyryl chloride;2-Chloro-1,1-dimethyl-2-oxoethyl acetate;Acetic acid 1-chlorocarbonyl-1-methylethyl ester;Acetic acid 2-chloro-1,1-dimethyl-2-oxoethyl ester;α-Acetoxyisobutyryl chloride;1-Chlorocarbonyl-1-methylethyl acetate; |
Article Data | 11 |
O-acetyl-α-hydroxyisobutyric acid
2-acetoxy-2-methylpropanoyl chloride
Conditions | Yield |
---|---|
With thionyl chloride | |
(i) AcCl, (ii) SOCl2; Multistep reaction; | |
With thionyl chloride for 2h; Heating; Yield given; | |
With oxalyl dichloride In toluene for 3h; Reflux; Inert atmosphere; | |
With oxalyl dichloride In dichloromethane at 20℃; for 0.5h; |
Conditions | Yield |
---|---|
(i) H2SO4, (ii) SOCl2; Multistep reaction; |
Conditions | Yield |
---|---|
(i), (ii) (COCl)2; Multistep reaction; | |
(i), (ii) SOCl2; Multistep reaction; |
2-acetoxy-2-methylpropanoyl chloride
6-amino-5-fluoroindolin-2-one
acetic acid 1-(5-fluoro-2-oxo-1,3-dihydro-1H-indol-6-ylcarbamoyl)-1-methyl-ethyl ester
Conditions | Yield |
---|---|
With piperidine In tetrahydrofuran at -40 - 20℃; | 99.5% |
With piperidine In tetrahydrofuran at -40 - 20℃; | 99.5% |
With piperidine In tetrahydrofuran at -45 - 20℃; | |
With pyridine In tetrahydrofuran at -45 - 20℃; Cooling with acetone-dry ice; |
5-chloro-2,4-difluoroaniline
2-acetoxy-2-methylpropanoyl chloride
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 20℃; | 98% |
2-acetoxy-2-methylpropanoyl chloride
Conditions | Yield |
---|---|
With triethylamine; dmap In dichloromethane at 25℃; for 18h; | 96% |
(3aR,4R,5S,7aS)-6-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
2-acetoxy-2-methylpropanoyl chloride
(3aS,4S,5R,7aS)-5-chloro-6-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl acetate
Conditions | Yield |
---|---|
In acetonitrile at 0 - 20℃; Inert atmosphere; stereoselective reaction; | 95% |
Conditions | Yield |
---|---|
In acetonitrile at 0 - 18℃; for 1h; | 95% |
2-acetoxy-2-methylpropanoyl chloride
(3aS,4R,5R,7aS)-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
Conditions | Yield |
---|---|
In acetonitrile at 0℃; for 1h; | 95% |
methyl (3aS,6R,7R,7aR)-6,7-dihydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
2-acetoxy-2-methylpropanoyl chloride
methyl (3aS,6S,7S,7aS)-7-(acetyloxy)-6-chloro-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
Conditions | Yield |
---|---|
In acetonitrile at 0 - 20℃; Inert atmosphere; stereoselective reaction; | 94% |
The 1-Chlorocarbonyl-1-methylethyl acetate, with the CAS registry number 40635-66-3, is also known as Acetic acid 1-chlorocarbonyl-1-methylethyl ester. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS number is 255-016-2. This chemical's molecular formula is C6H9ClO3 and molecular weight is 164.59. What's more, its systematic name is 1-Chloro-2-methyl-1-oxo-2-propanyl acetate. This chemical should be sealed and stored in a cool and dry place.
Physical properties of 1-Chlorocarbonyl-1-methylethyl acetate are: (1)ACD/LogP: 1.198; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.20; (4)ACD/LogD (pH 7.4): 1.20; (5)ACD/BCF (pH 5.5): 4.79; (6)ACD/BCF (pH 7.4): 4.79; (7)ACD/KOC (pH 5.5): 106.82; (8)ACD/KOC (pH 7.4): 106.82; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 32.993 cm3; (15)Molar Volume: 109.519 cm3; (16)Polarizability: 13.08×10-24cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.297 g/cm3; (19)Flash Point: 64.276 °C; (20)Enthalpy of Vaporization: 40.501 kJ/mol; (21)Boiling Point: 168.572 °C at 760 mmHg; (22)Vapour Pressure: 1.6 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can react violently with water and can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)C(OC(=O)C)(C)C
(2)Std. InChI: InChI=1S/C6H9ClO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3
(3)Std. InChIKey: RBTCRFLJLUNCLL-UHFFFAOYSA-N