Conditions | Yield |
---|---|
With sodium azide In Dimethyl ether |
Conditions | Yield |
---|---|
With diphenyl phosphoryl azide; triethylamine In toluene at 20 - 80℃; Rearrangement; | |
With diphenyl phosphoryl azide; triethylamine In toluene at 0 - 80℃; for 6.5h; | |
With diphenyl phosphoryl azide; triethylamine In toluene at 70℃; for 0.333333h; | |
With diphenyl phosphoryl azide; triethylamine In toluene at 100℃; for 1h; |
isocyanatocyclopropane
Conditions | Yield |
---|---|
bei thermischen Zersetzung; |
bis(trichloromethyl) carbonate
Cyclopropylamine
isocyanatocyclopropane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0℃; for 0.5h; Product distribution / selectivity; | |
In tetrahydrofuran at 25℃; for 3.5h; Inert atmosphere; Reflux; |
cyclopropylcarbonyl azide
isocyanatocyclopropane
Conditions | Yield |
---|---|
In acetonitrile at 120℃; under 5171.62 Torr; Curtius rearrangement; |
4-amino-N-methyl-N-[1-(tetrahydro-2H-pyran-4-ylmethyl)-2-(trifluoromethyl)-1H-benzimidazol-5-yl]piperidine-1-sulfonamide
isocyanatocyclopropane
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 1h; | 100% |
4-chlorobenzoic acid hydrazide
isocyanatocyclopropane
2-(4-chlorobenzoyl)-N-cyclopropylhydrazinecarboxamide
Conditions | Yield |
---|---|
In tetrahydrofuran at 50℃; Inert atmosphere; | 100% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
In dichloromethane at 0℃; for 2h; | 100% |
2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester
isocyanatocyclopropane
Conditions | Yield |
---|---|
With pyridine at 50℃; for 40h; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate In ethanol at 20℃; for 48h; | 100% |
Conditions | Yield |
---|---|
With pyridine at 80℃; for 16h; | 99% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
In dichloromethane at 25℃; for 72h; Inert atmosphere; | 96% |
2,3-dihydro-5-(3',4'-dichlorophenyl)-6,7-bis(hydroxymethyl)-1H-pyrrolizine
isocyanatocyclopropane
Conditions | Yield |
---|---|
With triethylamine In dichloromethane for 60h; | 95% |
Chloroiodomethane
isocyanatocyclopropane
2-chloro-N-cyclopropylacetamide
Conditions | Yield |
---|---|
With methyllithium lithium bromide In diethyl ether at -78℃; | 95% |
With methyllithium; lithium bromide In diethyl ether at -78℃; for 1h; chemoselective reaction; | 95% |
4‑(4‑amino‑3‑chlorophenoxy)‑7‑methoxyquinoline‑6‑carboxamide
isocyanatocyclopropane
lenvatinib
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; Solvent; | 94.5% |
In dichloromethane at 25℃; for 2h; Temperature; | 86.8% |
2-(trifluoromethoxy)benzoic acid hydrazide
isocyanatocyclopropane
N-Cyclopropyl-2-{[2-(trifluoromethoxy)phenyl]carbonyl}hydrazinecarboxamide
Conditions | Yield |
---|---|
In tetrahydrofuran at 60℃; for 18h; | 93% |
4-(2,3-dichloro-4-nitrophenoxy)pyridin-2-amine
isocyanatocyclopropane
1-cyclopropyl-3-(4-(2,3-dichloro-4-nitrophenoxy)pyridin-2-yl)urea
Conditions | Yield |
---|---|
Stage #1: 4-(2,3-dichloro-4-nitrophenoxy)pyridin-2-amine; isocyanatocyclopropane In pyridine at 0 - 20℃; for 72h; Inert atmosphere; Stage #2: With ammonia In pyridine; methanol | 91% |
In pyridine at 0 - 20℃; for 72h; Inert atmosphere; | 91% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 0 - 20℃; for 1h; | 86% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; | 85% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
In dichloromethane at 0℃; for 2h; | 84% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; | 84% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; | 81% |
3-nitro-aniline
isocyanatocyclopropane
N-(3-nitrophenyl)-N'-cyclopropyl urea
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 25℃; Inert atmosphere; Schlenk technique; | 80% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; | 79% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 79% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
In dichloromethane at 0℃; for 2h; | 72% |
ortho-bromophenyl isocyanide
isocyanatocyclopropane
3-cyclopropylquinazolin-4(3H)-one
Conditions | Yield |
---|---|
Stage #1: ortho-bromophenyl isocyanide With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.25h; Inert atmosphere; Stage #2: isocyanatocyclopropane In tetrahydrofuran; hexane at -78℃; for 3h; Inert atmosphere; Stage #3: With water; ammonium chloride In tetrahydrofuran; hexane at -78 - 20℃; | 70% |
Conditions | Yield |
---|---|
In tetrahydrofuran; dichloromethane at 25℃; for 2h; | 70% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
With pyridine at 20℃; for 16h; | 70% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
With pyridine at 20℃; for 16h; | 66% |
Conditions | Yield |
---|---|
With potassium carbonate In ethanol at 20℃; for 48h; | 66% |
4-fluorobenzoyl hydrazide
isocyanatocyclopropane
N-[(cyclopropylcarbamoyl)amino]-4-fluorobenzamide
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 2h; | 62% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; | 61.7% |
7-nitro-1,2,3,4-tetrahydro-quinoline
isocyanatocyclopropane
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; Inert atmosphere; | 59% |
isocyanatocyclopropane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 4h; | 58% |
The CAS register number of Cyclopropane, isocyanato- is 4747-72-2. It also can be called as Cyclopropyl isocyanate and the IUPAC name about this chemical is isocyanatocyclopropane. The molecular formula about this chemical is C4H5NO and the molecular weight is 83.0886.
Physical properties about Cyclopropane, isocyanato- are: (1)ACD/LogP: 1.45; (2)ACD/LogD (pH 5.5): 1.449; (3)ACD/LogD (pH 7.4): 1.449; (4)ACD/BCF (pH 5.5): 7.433; (5)ACD/BCF (pH 7.4): 7.433; (6)ACD/KOC (pH 5.5): 146.289; (7)ACD/KOC (pH 7.4): 146.289; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.43 Å2; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 22.331 cm3; (13)Molar Volume: 69.749 cm3; (14)Polarizability: 8.853x10-24cm3; (15)Surface Tension: 43.771 dyne/cm; (16)Density: 1.191 g/cm3; (17)Flash Point: 14.521 °C; (18)Enthalpy of Vaporization: 32.725 kJ/mol; (19)Boiling Point: 87.021 °C at 760 mmHg; (20)Vapour Pressure: 64.895 mmHg at 25 °C.
Uses of Cyclopropane, isocyanato-: it can be used to produce 2-guanidino-5-(N-cyclopropyl-carbamoyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine with 2-guanidino-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine. This reaction will need solvent of dimethylformamide. The yield is about 50%.
You can still convert the following datas into molecular structure:
(1)SMILES: C1CC1N=C=O
(2)InChI: InChI=1/C4H5NO/c6-3-5-4-1-2-4/h4H,1-2H2
(3)InChIKey: DBBRJAWSDTYYBM-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h4H,1-2H2(5)Std. InChIKey: DBBRJAWSDTYYBM-UHFFFAOYSA-N
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