Conditions | Yield |
---|---|
at 20℃; | |
Conditions | Yield |
---|---|
In dichloromethane |
Isopropenyl chloroformate
2-(3,4-dimethoxyphenyl)-2-cyclohexen-1-ol
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0℃; | 100% |
Isopropenyl chloroformate
2-(3,4-methylenedioxyphenyl)-2-cyclohexen-1-ol
2-(3,4-methylenedioxyphenyl)-3-[(isopropenyloxycarbonyl)oxy]-1-cyclohexene
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0℃; | 100% |
ethyl 2-(3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)phenyl)acetate
Isopropenyl chloroformate
C21H27N3O4
Conditions | Yield |
---|---|
With sodium hydroxide In water; ethyl acetate at 20℃; for 1h; | 100% |
(1R)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-1-(4-fluorophenyl)-2-phenylethan-1-amine
Isopropenyl chloroformate
Conditions | Yield |
---|---|
With potassium carbonate In tetrahydrofuran; water at 20℃; | 100% |
Isopropenyl chloroformate
3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2(1H)-one
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% |
Isopropenyl chloroformate
2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
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; |
tert-butyl 5-(5-amino-3-isopropyl-pyrazol-1-yl)-indazole-1-carboxylate
Isopropenyl chloroformate
tert-butyl 5-(3-isopropyl-5-((prop-1-en-2-yloxy)carbonylamino)-1H-pyrazol-1-yl)-1H-indazole-1-carboxylate
Conditions | Yield |
---|---|
With sodium hydroxide In ethyl acetate at 0 - 20℃; | 99% |
With sodium hydroxide In water; ethyl acetate at 0 - 20℃; | 99% |
Isopropenyl chloroformate
3-(3-amino-4-fluorophenyl)-N-(4-methoxybenzyl)-N,2-dimethyl-1,6-naphthyridin-7-amine
prop-1-en-2-yl (2-fluoro-5-(7-((4-methoxybenzyl)(methyl)amino)-2-methyl-1,6-naphthyridin-3-yl)phenyl)carbamate
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% |
Conditions | Yield |
---|---|
With triethylamine In toluene at 25℃; for 2.66667h; | 99% |
Isopropenyl chloroformate
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In water; ethyl acetate at 20℃; for 2h; | 99% |
Isopropenyl chloroformate
3-(5-amino-4-fluoro-2-methylphenyl)-N-(4-methoxybenzyl)-N,2-dimethyl-1,6-naphthyridin-7-amine
prop-1-en-2-yl (2-fluoro-5-(7-((4-methoxybenzyl)(methyl)amino)-2-methyl-1,6-naphthyridin-3-yl)-4-methylphenyl)carbamate
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In ethyl acetate at 20℃; for 4h; | 99% |
Isopropenyl chloroformate
N-hydroxy-5-norbornene-2,3-dicarboximide
Carbonic acid 3,5-dioxo-4-aza-tricyclo[5.2.1.02,6]dec-8-en-4-yl ester isopropenyl ester
Conditions | Yield |
---|---|
With triethylamine In acetone; acetonitrile at 0℃; | 98% |
Isopropenyl chloroformate
7-((4-methoxybenzyl)(methyl)amino)-3-(5-amino-2-chloro-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2(1H)-one
prop-1-en-2-yl (4-chloro-5-(1-ethyl-7-((4-methoxybenzyl)(methyl)amino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluorophenyl)carbamate
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In ethyl acetate at 20℃; for 3h; | 98% |
In ethyl acetate at 20℃; for 3h; | 98% |
Isopropenyl chloroformate
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; | 98% |
Isopropenyl chloroformate
(2R,4aS,8aS)-4-[(3,5-dimethoxyphenyl)carbonyl]-3,4a,8,8-tetramethyldecahydronaphthalen-2-amine
prop-1-en-2-yl N-[(2R,3S,4S,4aS,8aS)-4-[(3,5-dimethoxyphenyl)carbonyl]-3,4a,8,8-tetramethyldecahydronaphthalen-2-yl]carbamate
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 0 - 20℃; for 23h; Inert atmosphere; | 97% |
4-trifluoromethylphenylamine
Isopropenyl chloroformate
prop-1-en-2-yl (4-(trifluoromethyl)phenyl)carbamate
Conditions | Yield |
---|---|
With 4-methyl-morpholine In tetrahydrofuran at -78 - 20℃; for 3h; Inert atmosphere; | 97% |
1-hydroxy-pyrrolidine-2,5-dione
Isopropenyl chloroformate
Isopropenyl Succinimido Carbonate
Conditions | Yield |
---|---|
With triethylamine In acetone; acetonitrile at 0℃; for 4h; | 96% |
(1S,4aS,5S,8aR)-2, 8a-dihydroxy-3,8-dimethyl-5-(1-methylethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl (2S,3aR,9bR)-6-chloro-9b-hydroxy-5-methyl-1,2,3,3a,5,9b-hexahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylate
Isopropenyl chloroformate
(1S,2R,4aS,5S,8R,8aR)-8a-hydroxy-3,8-dimethyl-2-({[(1-methylethenyl) oxy] carbonyl} oxy)-5-(1-methylethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl (2S,3aR,9bR)-6-chloro-9b-hydroxy-5-methyl-1,2,3,3a,5,9b-hexahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylate
Conditions | Yield |
---|---|
With dmap In dichloromethane at 0 - 20℃; for 2.5h; | 96% |
Isopropenyl chloroformate
7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2(1H)-one
prop-1-en-2-yl (5-(7-amino-1-ethyl-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluoro-4-methylphenyl)carbamate
Conditions | Yield |
---|---|
In pyridine at 0℃; for 0.5h; | 96% |
With pyridine at 0℃; for 0.5h; | 96% |
N-hydroxyphthalimide
Isopropenyl chloroformate
Carbonic acid 1,3-dioxo-1,3-dihydro-isoindol-2-yl ester isopropenyl ester
Conditions | Yield |
---|---|
With triethylamine In acetone; acetonitrile at 0℃; | 95% |
Isopropenyl chloroformate
3-(5-amino-2-methylphenyl)-N-(4-methoxybenzyl)-N,2-dimethyl-1,6-naphthyridin-7-amine
prop-1-en-2-yl (3-(7-((4-methoxybenzyl)(methyl)amino)-2-methyl-1,6-naphthyridin-3-yl)-4-methylphenyl)carbamate
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In water; ethyl acetate at 20℃; for 1h; | 95% |
4-nitro-phenol
Isopropenyl chloroformate
4-nitrophenyl prop-1-en-2-yl carbonate
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; for 1.5h; | 94% |
With pyridine; sodium hydroxide In chloroform | 84% |
With pyridine; sodium hydroxide In hydrogenchloride; chloroform | |
With pyridine In chloroform at 20℃; Cooling with ice; |
Isopropenyl chloroformate
3-(5-amino-2-chloro-4-fluorophenyl)-7-chloro-1-ethyl-1,6-naphthyridin-2(1H)-one
prop-1-en-2-yl (4-chloro-5-(7-chloro-1-ethyl-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluorophenyl)carbamate
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In ethyl acetate at 20℃; for 2h; | 94% |
With sodium hydrogencarbonate In ethyl acetate at 20℃; for 2h; | 94% |
Isopropenyl chloroformate
Conditions | Yield |
---|---|
With pyridine In pyridine at 20℃; | 94% |
Isopropenyl chloroformate
6-(5-chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one
6-(5-chloropyridin-2-yl)-7-oxo-5-(2-propenyloxycarbonyloxy)-5,6-dihydropyrrolo[3,4b]pyrazine
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; for 6h; | 93% |
Isopropenyl chloroformate
(Z)-3-{3,4,5-trimethoxy-2-[2-(trifluoroacetylamino)ethyl]-phenyl}prop-2-enol
1-methylethenyl (Z)-3-{3,4,5-trimethoxy-2-[2-(trifluoroacetylamino)ethyl]phenyl}prop-2-enyl carbonate
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0℃; for 3h; Inert atmosphere; | 91% |
Isopropenyl chloroformate
diethylamine
prop-1-en-2-yl diethylcarbamate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 91% |
Isopropenyl chloroformate
sodium 2,4,6-trichlorophenolate
Carbonic acid isopropenyl ester 2,4,6-trichloro-phenyl ester
Conditions | Yield |
---|---|
In acetonitrile Ambient temperature; | 90% |
Isopropenyl chloroformate
sodium salt of N-hydroxysuccinimide
Isopropenyl Succinimido Carbonate
Conditions | Yield |
---|---|
In acetonitrile Ambient temperature; | 90% |
Isopropenyl chloroformate
tert-butyl (3-(4-fluoro-2-methyl-5-(3-phenylureido)phenyl)-1-isopropyl-2-oxo-1,2-dihydro-1,6-naphthyridin-7-yl)carbamate
prop-1-en-2-yl (3-(4-fluoro-2-methyl-5-(3-phenylureido)phenyl)-1-isopropyl-2-oxo-1,2-dihydro-1,6-naphthyridin-7-yl)carbamate
Conditions | Yield |
---|---|
Stage #1: tert-butyl (3-(4-fluoro-2-methyl-5-(3-phenylureido)phenyl)-1-isopropyl-2-oxo-1,2-dihydro-1,6-naphthyridin-7-yl)carbamate With hydrogenchloride In 1,4-dioxane; methanol at 20℃; for 16h; Stage #2: Isopropenyl chloroformate With pyridine at 20℃; for 1h; | 90% |
With hydrogenchloride In 1,4-dioxane; methanol at 20℃; for 16h; | 175 mg |
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%.
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
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