CAS No.2516-47-4,Aminomethylcyclopropane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2516-47-4
Name:	Aminomethylcyclopropane
Article Data:	18

Formula:	C₄H₉N
Molecular Weight:	71.1222
Synonyms:	Cyclopropanemethylamine(6CI,7CI,8CI);(Cyclopropylmethyl)amine;1-Cyclopropylmethanamine;Cyclopropanemethanamine;C-Cyclopropylmethylamine;Cyclopropylmethanamine;N-(Cyclopropylmethyl)amine;
EINECS:	219-737-6
Density:	0.912 g/cm³
Boiling Point:	86.1 °C at 760 mmHg
Flash Point:	-23 °F
Solubility:	Fully miscible in water.
Appearance:	clear colourless to slightly yellow liquid
Hazard Symbols:	F, C
Risk Codes:	11-34
Safety:	16-26-36/37/39-45-24/25
Transport Information:	UN 2733 3/PG 2
PSA:	26.02000
LogP:	1.05540

Synthetic route

: 15687-07-7
Cyprazepam

A: 17433-16-8
6-Chlor-2-methyl-4-phenyl-3,4-dihydrochinazolin

B: 2516-47-4
cyclopropanemethylamine

Conditions

Conditions	Yield
In methanol; water for 14h; Mechanism; cathodic reduction, -1.480 V, Hg cathode, acetate buffer;	A 80% B n/a

: 186581-53-3, 908094-01-9
diazomethane

: 107-11-9
1-amino-2-propene

: 2516-47-4
cyclopropanemethylamine

Conditions

Conditions	Yield
bis(benzonitrile)palladium(II) dichloride In diethyl ether; dichloromethane at 5 - 10℃; for 0.5h;	65%
With bis(benzonitrile)palladium(II) dichloride In dichloromethane at 0 - 10℃; Yield given;

: 186581-53-3, 908094-01-9
diazomethane

: 107-11-9
1-amino-2-propene

A: 106434-96-2
1-cyclopropyl-but-3-en-1-ol

B: 126909-80-6
1-cyclopropylbut-3-en-2-ol

C: 2516-47-4
cyclopropanemethylamine

Conditions

Conditions	Yield
bis(benzonitrile)palladium(II) dichloride In dichloromethane at 0 - 10℃;	A 31% B 10% C 65%

...Expand

: 5500-21-0
cyclopropropanecarbonitrile

: 2516-47-4
cyclopropanemethylamine

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel dichloride In tetrahydrofuran at 25℃; for 16h; Temperature; Inert atmosphere; Large scale;	53%
With ethanol; sodium
With sodium ethanolate In ethanol
With lithium aluminium tetrahydride In tetrahydrofuran for 18h; Inert atmosphere; Reflux;
With samarium diiodide; ammonia; water In tetrahydrofuran at 20℃; for 2h; Inert atmosphere;

: (1R,2R)-1-Azido-2-iodo-cyclobutane

: 2516-47-4
cyclopropanemethylamine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether

: C4H8NPol

: 2516-47-4
cyclopropanemethylamine

Conditions

Conditions	Yield
With trifluoroacetic acid for 3h;

: 2516-47-4
cyclopropanemethylamine

: 66441-23-4, 71283-80-2
fenoxaprop-p-ethyl

A: (6-Chloro-benzooxazol-2-yl)-cyclopropylmethyl-amine

B: 71301-98-9
(R)-2-(4-hydroxyphenoxy)propionic acid ethyl ester

Conditions

Conditions	Yield
at 20℃;	A 100% B n/a

...Expand

: 872-85-5
pyridine-4-carbaldehyde

: 2516-47-4
cyclopropanemethylamine

: 165806-99-5
pyridine-4-carboxaldehyde cyclopropylmethylimine

Conditions

Conditions	Yield
With magnesium sulfate	100%

: 541-41-3
chloroformic acid ethyl ester

: 2516-47-4
cyclopropanemethylamine

: 6558-68-5
ethyl (cyclopropylmethyl)carbamate

Conditions

Conditions	Yield
Stage #1: chloroformic acid ethyl ester; cyclopropanemethylamine With triethylamine In dichloromethane at 0 - 20℃; for 2.5h; Stage #2: With hydrogenchloride In dichloromethane; water pH=3;	100%
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	97%

: 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one

: 2516-47-4
cyclopropanemethylamine

: 710973-92-5
4-(cyclopropylmethylamino)piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With hydrogen; palladium 10% on activated carbon In tetrahydrofuran under 2068.65 Torr; for 1h;	100%
With sodium tris(acetoxy)borohydride; acetic acid In 1,2-dichloro-ethane at 20℃; Acidic conditions;	74%
With sodium tris(acetoxy)borohydride; acetic acid In 1,2-dichloro-ethane at 25℃;
Stage #1: N-tert-butyloxycarbonylpiperidin-4-one; cyclopropanemethylamine With sodium acetate; acetic acid In tetrahydrofuran at 20℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In tetrahydrofuran at 20℃; for 15h; Stage #3: With hydrogenchloride In diethyl ether; water
Stage #1: N-tert-butyloxycarbonylpiperidin-4-one; cyclopropanemethylamine With sodium acetate; acetic acid In tetrahydrofuran at 20℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In tetrahydrofuran for 15h; Stage #3: With sodium hydroxide; water

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Specification

The CAS register number of Aminomethylcyclopropane is 2516-47-4. It also can be called as 1-Cyclopropylmethanamine and the IUPAC name about this chemical is cyclopropylmethanamine. The molecular formula about this chemical is C₄H₉N and the molecular weight is 71.12. It belongs to the Amines and Anilines.

Physical properties about Aminomethylcyclopropane are: (1)ACD/LogP: 0.23; (2)ACD/LogD (pH 5.5): -2.86; (3)ACD/LogD (pH 7.4): -2.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24Å²; (12)Index of Refraction: 1.477; (13)Molar Refractivity: 22.06 cm³; (14)Molar Volume: 77.9 cm³; (15)Polarizability: 8.74x10^-24cm³; (16)Surface Tension: 37.9 dyne/cm; (17)Enthalpy of Vaporization: 32.64 kJ/mol; (18)Boiling Point: 86.1 °C at 760 mmHg; (19)Vapour Pressure: 67.5 mmHg at 25°C.

Preparation: this chemical can be prepared by diazomethane and allylamine. This reaction will need reagent (PhCN)₂PdCl₂ and solvent CH₂Cl₂. The reaction temperature is 0 - 10 ℃.

Uses of Aminomethylcyclopropane: it can be used to produce 1-benzyl-3-cyclopropylmethyl-thiourea with isothiocyanatomethyl-benzene at heating. This reaction will need solvent acetone with reaction time of 3 hours. The yield is about 47%.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It can react violently with water. If you want to use it, please keep away from sources of ignition, you also need avoid contact with skin and eyes. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: NCC1CC1
(2)InChI: InChI=1/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2
(3)InChIKey: IGSKHXTUVXSOMB-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2
(5)Std. InChIKey: IGSKHXTUVXSOMB-UHFFFAOYSA-N