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Name |
Cyclopropane, isocyanato- |
EINECS | N/A |
CAS No. | 4747-72-2 | Density | 1.191 g/cm3 |
PSA | 29.43000 | LogP | 0.48460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H5NO | Boiling Point | 87.021 °C at 760 mmHg |
Molecular Weight | 83.0898 | Flash Point | 14.521 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Isocyanic acid, cyclopropyl ester(8CI);Cyclopropyl isocyanate;Isocyanatocyclopropane; |
Article Data | 13 |
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; |
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% |
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