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| CAS No.: | 57933-83-2 |
|---|---|
| Name: | Isopropenyl chloroformate |
| Molecular Structure: | |
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| Formula: | C4H5ClO2 |
| Molecular Weight: | 120.535 |
| Synonyms: | Isopropenylchloroformate; |
| EINECS: | 261-018-4 |
| Density: | 1.103 g/cm3 |
| Boiling Point: | 100 °C at 760 mmHg |
| Flash Point: | 16.1 °C |
| Solubility: | reacts |
| Appearance: | Colorless clear liquid |
| Hazard Symbols: |
 F；  T；  T+
|
| Risk Codes: | 11-23/24/25-34-36/37-29-26-21/22 |
| Safety: | 16-26-27-36/37/39-45-8-28 |
| Transport Information: | UN 3390 |
| PSA: | 26.30000 |
| LogP: | 1.89540 |
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| Conditions | Yield |
|---|---|
| at 20℃; | |
| Conditions | Yield |
|---|---|
| In dichloromethane |
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Isopropenyl chloroformate
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| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 0℃; | 100% |
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Isopropenyl chloroformate
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2-(3,4-methylenedioxyphenyl)-2-cyclohexen-1-ol
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2-(3,4-methylenedioxyphenyl)-3-[(isopropenyloxycarbonyl)oxy]-1-cyclohexene
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 0℃; | 100% |
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ethyl 2-(3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)phenyl)acetate
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Isopropenyl chloroformate
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| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; ethyl acetate at 20℃; for 1h; | 100% |
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(1R)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-1-(4-fluorophenyl)-2-phenylethan-1-amine
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Isopropenyl chloroformate
| Conditions | Yield |
|---|---|
| With potassium carbonate In tetrahydrofuran; water at 20℃; | 100% |
- 57933-83-2
Isopropenyl chloroformate
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prop-1-en-2-yl (5-(1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluoro-4-methylphenyl)carbamate
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In ethyl acetate at 20℃; for 6h; | 100% |
| With sodium hydrogencarbonate In ethyl acetate at 20℃; | 100% |
- 57933-83-2
Isopropenyl chloroformate
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- 1454682-73-5
prop-1-en-2-yl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In water; ethyl acetate at 20℃; for 6h; | 100% |
| With sodium hydrogencarbonate In water; ethyl acetate at 20℃; for 6h; | |
| With sodium hydrogencarbonate In ethyl acetate at 20℃; for 6h; Schotten-Baumann Reaction; |
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| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethyl acetate at 0 - 20℃; | 99% |
| With sodium hydroxide In water; ethyl acetate at 0 - 20℃; | 99% |
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Isopropenyl chloroformate
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3-(3-amino-4-fluorophenyl)-N-(4-methoxybenzyl)-N,2-dimethyl-1,6-naphthyridin-7-amine
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| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In ethyl acetate at 20℃; for 2h; Schotten-Baumann Reaction; | 99% |
| With sodium hydrogencarbonate In ethyl acetate at 20℃; for 2h; | 99% |
- Total:19 Page 1 of 1 1
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Specification
The Isopropenyl chloroformate, with CAS registry number 57933-83-2, has the systematic name of (1)Acid Halides; (2)Carbonyl Compounds; (3)Organic Building Blocks. Its systematic name and its IUPAC name are the same, which is prop-1-en-2-yl carbonochloridate. This chemical should be stored at the temperature of 2-8°C.
Physical properties of Isopropenyl chloroformate: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.66; (6)ACD/BCF (pH 7.4): 21.66; (7)ACD/KOC (pH 5.5): 314.59; (8)ACD/KOC (pH 7.4): 314.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 26.77 cm3; (15)Molar Volume: 104.3 cm3; (16)Polarizability: 10.61×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Enthalpy of Vaporization: 33.93 kJ/mol; (19)Vapour Pressure: 37.4 mmHg at 25°C.
Uses of Isopropenyl chloroformate: it can be used to phenyl-carbamic acid isopropenyl ester. This reaction will need reagent sodium hydroxide and solvents H2O, ethyl acetate. The reaction time is 45 min with reaction temperature of 10 - 20 ℃. The yield is about 38%.
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When you are using this chemical, please be cautious about it as the following:
The Isopropenyl chloroformate is highly flammable, and it may cause burns, so keep it away from sources of ignition. This chemical is very toxic and harmful by inhalation, in contact with skin and if swallowed. When it contact with water, it liberates toxic gas, so keep its container dry. This chemical irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) After using it, take off immediately all contaminated clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)O/C(=C)C
(2)InChI: InChI=1/C4H5ClO2/c1-3(2)7-4(5)6/h1H2,2H3
(3)InChIKey: AMMGCGVWJMRTQI-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C4H5ClO2/c1-3(2)7-4(5)6/h1H2,2H3
(5)Std. InChIKey: AMMGCGVWJMRTQI-UHFFFAOYSA-N