CAS No.4747-72-2,isocyanatocyclopropane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4747-72-2
Name:	isocyanatocyclopropane
Article Data:	13

Formula:	C₄H₅NO
Molecular Weight:	83.0898
Synonyms:	Isocyanic acid, cyclopropyl ester(8CI);Cyclopropyl isocyanate;Isocyanatocyclopropane;
Density:	1.191 g/cm³
Boiling Point:	87.021 °C at 760 mmHg
Flash Point:	14.521 °C
PSA:	29.43000
LogP:	0.48460

Synthetic route

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 4747-72-2
isocyanatocyclopropane

Conditions

Conditions	Yield
With sodium azide In Dimethyl ether

: 1759-53-1
cyclopropanecarboxylic acid

: 4747-72-2
isocyanatocyclopropane

Conditions

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;

alkali salt of cyclopropanecarbohydroxamic acid-benzoate: alkali salt of cyclopropanecarbohydroxamic acid-benzoate

: 4747-72-2
isocyanatocyclopropane

Conditions

Conditions	Yield
bei thermischen Zersetzung;

: 32315-10-9
bis(trichloromethyl) carbonate

: 765-30-0
Cyclopropylamine

: 4747-72-2
isocyanatocyclopropane

Conditions

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;

: 69332-64-5
cyclopropylcarbonyl azide

: 4747-72-2
isocyanatocyclopropane

Conditions

Conditions	Yield
In acetonitrile at 120℃; under 5171.62 Torr; Curtius rearrangement;

: 881672-29-3
4-amino-N-methyl-N-[1-(tetrahydro-2H-pyran-4-ylmethyl)-2-(trifluoromethyl)-1H-benzimidazol-5-yl]piperidine-1-sulfonamide

: 4747-72-2
isocyanatocyclopropane

: 4-{[(cyclopropylamino)carbonyl]amino}-N-methyl-N-[1-(tetrahydro-2H-pyran-4-ylmethyl)-2-(trifluoromethyl)-1H-benzimidazol-5-yl]piperidine-1-sulfonamide

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 1h;	100%

: 536-40-3
4-chlorobenzoic acid hydrazide

: 4747-72-2
isocyanatocyclopropane

: 959136-89-1
2-(4-chlorobenzoyl)-N-cyclopropylhydrazinecarboxamide

Conditions

Conditions	Yield
In tetrahydrofuran at 50℃; Inert atmosphere;	100%

: N4-((1s,4R)-4-aminocyclohexyl)-6-(3-fluorophenyl)-N2-((S)-1-methoxypropan-2-yl)quinazoline-2,4-diamine

: 4747-72-2
isocyanatocyclopropane

: 1-cyclopropyl-3-((1R,4s)-4-((6-(3-fluorophenyl)-2-(((S)-1-methoxypropan-2-yl)amino)quinazolin-4-yl)amino)cyclohexyl)urea

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 2h;	100%

: 43088-42-2
2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester

: 4747-72-2
isocyanatocyclopropane

: ethyl 2-[(cyclopropylcarbamoyl)amino]-4-methylthiophene-3-carboxylate

Conditions

Conditions	Yield
With pyridine at 50℃; for 40h;	100%

: 5369-21-1
3-cyclohexylbenzenamine

: 4747-72-2
isocyanatocyclopropane

: 1-(3-cyclohexylphenyl)-3-cyclopropylurea

Conditions

Conditions	Yield
With potassium carbonate In ethanol at 20℃; for 48h;	100%

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Specification

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