CAS No.5813-64-9,Neopentylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5813-64-9
Name:	Neopentylamine
Article Data:	39

Formula:	C₅H₁₃N
Molecular Weight:	87.1649
Synonyms:	Neopentylamine(6CI,7CI,8CI);1-Amino-2,2-dimethylpropane;2,2-Dimethyl-1-propanamine;2,2-Dimethyl-1-propylamine;2,2-Dimethylpropanamine;2,2-Dimethylpropylamine;NSC 165660;
EINECS:	227-378-1
Density:	0.759 g/cm³
Melting Point:	-70°C (estimate)
Boiling Point:	82.6 °C at 760 mmHg
Flash Point:	-13°C
Hazard Symbols:	Xn
Risk Codes:	11-20/22-35
Safety:	3-16-23-26-36/37/39
PSA:	26.02000
LogP:	1.69150

Synthetic route

: 75-98-9
Trimethylacetic acid

A: 5813-64-9
2,2-dimethylpropylamine

B: 754-10-9
2,2-dimethylpropionamide

Conditions

Conditions	Yield
Stage #1: Trimethylacetic acid With cyclopentyl methyl ether; ammonia at 200℃; under 4500.45 Torr; Sealed tube; Green chemistry; Stage #2: With cyclopentyl methyl ether; ammonia; hydrogen at 200℃; under 42004.2 Torr; for 6.5h; Cooling with ice; Green chemistry;	A 74% B 26%

: 630-18-2
tert-butyl isocyanide

: 5813-64-9
2,2-dimethylpropylamine

Conditions

Conditions	Yield
With ethanol; sodium
With ethanol; sodium; toluene
With lithium aluminium tetrahydride; diethyl ether

: 637-91-2
2,2-dimethylpropionaldehyde oxime

: 5813-64-9
2,2-dimethylpropylamine

Conditions

Conditions	Yield
With nickel; ethylene glycol at 105℃; Hydrogenation;
With hydrogen In tetrahydrofuran at 140℃; under 30003 Torr; for 2.25h;

: 104410-32-4
N,N'-bis(2,2-dimethylpropylidene)-2,2-dimethyl-1,1-propanediamine

A: 5813-64-9
2,2-dimethylpropylamine

B: 77954-69-9
di(neo-pentyl)amine

Conditions

Conditions	Yield
With diethyl ether; nickel kieselguhr at 100 - 125℃; under 73550.8 - 110326 Torr; Hydrogenation;
With ethanol; nickel kieselguhr at 100 - 125℃; under 73550.8 - 110326 Torr; Hydrogenation;
With nickel kieselguhr; methyl cyclohexane at 100 - 125℃; under 73550.8 - 110326 Torr; Hydrogenation;

: 754-10-9
2,2-dimethylpropionamide

A: 5813-64-9
2,2-dimethylpropylamine

B: 75-84-3
2,2-dimethyl-propanol-1

Conditions

Conditions	Yield
With ethanol; sodium
With sec.octyl alcohol; sodium
With dodecacarbonyl-triangulo-triruthenium; hydrogen; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 160℃; under 75007.5 Torr; for 16h; Inert atmosphere;

: 119072-55-8, 7188-38-7
tert-butylisonitrile

A: 14610-37-8
N-methyl-tert-butylamine

B: 5813-64-9
2,2-dimethylpropylamine

Conditions

Conditions	Yield
With nickel at 170 - 180℃; Hydrogenation;

: 630-19-3
pivalaldehyde

: 5813-64-9
2,2-dimethylpropylamine

Conditions

Conditions	Yield
With ammonium amalgam
Multi-step reaction with 2 steps 1: NH3 2: nickel kieselguhr; methylcyclohexane / 100 - 125 °C / 73550.8 - 110326 Torr / Hydrogenation View Scheme
Multi-step reaction with 2 steps 1: ZnCl2 2: LiAlH4 / diethyl ether View Scheme

: 53286-11-6
1-neopentylurea

: 5813-64-9
2,2-dimethylpropylamine

Conditions

Conditions	Yield
(hydrolysis);

: 17108-23-5
α-Trimethyl-siloxy-neopentylazid

: 5813-64-9
2,2-dimethylpropylamine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether

: 75-84-3
2,2-dimethyl-propanol-1

: 5813-64-9
2,2-dimethylpropylamine

Conditions

Conditions	Yield
With ammonia; hydrogen; iron at 230 - 250℃; under 22501.8 - 37503 Torr;	35 % Chromat.
Multi-step reaction with 2 steps 1: Na2Cr2O7; H2SO4 2: ammonium amalgam View Scheme
With dodecacarbonyl-triangulo-triruthenium; 4,5-bis((diisopropylphosphanyl)methyl)acridine; ammonia In tert-Amyl alcohol at 150℃; for 21h; Temperature; Inert atmosphere; Schlenk technique; Autoclave;

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Specification

The 1-Propanamine,2,2-dimethyl- is an organic compound with the formula C₅H₁₃N. The IUPAC name of this chemical is 2,2-dimethylpropan-1-amine. With the CAS registry number 5813-64-9, it is also named as 2,2-Dimethyl-1-propanamine. The product's category is Heterocyclic Compounds. Besides, it should be stored in a closed and cool place. It is used for organic synthesis.

Physical properties about 1-Propanamine,2,2-dimethyl- are: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -1.82; (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: 3.24 Å²; (12)Index of Refraction: 1.414; (13)Molar Refractivity: 28.71 cm³; (14)Molar Volume: 114.7 cm³; (15)Polarizability: 11.38×10^-24cm³; (16)Surface Tension: 24.4 dyne/cm; (17)Density: 0.759 g/cm³; (18)Enthalpy of Vaporization: 32.32 kJ/mol; (19)Boiling Point: 82.6 °C at 760 mmHg; (20)Vapour Pressure: 78.1 mmHg at 25°C.

Uses of 1-Propanamine,2,2-dimethyl-: it can be used to produce N,N'-dineopentyl-oxalamide. It will need reagent diethyl ether.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and harmful by inhalation and in contact with skin. Please keep away from sources of ignition - No smoking. Besides, this chemical can cause severe burns. When you are using it, wear suitable gloves and eye/face protection and do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: NCC(C)(C)C
(2)InChI: InChI=1/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3
(3)InChIKey: XDIAMRVROCPPBK-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3
(5)Std. InChIKey: XDIAMRVROCPPBK-UHFFFAOYSA-N