Neopentylamine supplier | CasNO.5813-64-9

Name
Neopentylamine
EINECS 227-378-1
CAS No. 5813-64-9
Article Data39
CAS DataBase
Density 0.759 g/cm³
Solubility
Melting Point -70°C (estimate)
Formula C₅H₁₃N
Boiling Point 82.6 °C at 760 mmHg
Molecular Weight 87.1649
Flash Point -13°C
Transport Information
Appearance
Safety 3-16-23-26-36/37/39
Risk Codes 11-20/22-35
Molecular Structure
Hazard Symbols Xn
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;
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;

: 630-19-3
pivalaldehyde

ammonium amalgam: ammonium amalgam

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

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

C: 75-98-9
Trimethylacetic acid

...Expand

: 630-18-2
tert-butyl isocyanide

: 64-17-5
ethanol

: 108-88-3
toluene

sodium: sodium

A: 75-28-5
Isobutane

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

C: 143-33-9
sodium cyanide

...Expand

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

: 107-21-1
ethylene glycol

Raney nickel: Raney nickel

: 5813-64-9
2,2-dimethylpropylamine

Conditions

Conditions	Yield
at 105℃; Hydrogenation;

...Expand

tert-butyl-acetic acid amide: tert-butyl-acetic acid amide

: 5813-64-9
2,2-dimethylpropylamine

Conditions

Conditions	Yield
With sodium hypobromide; water

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

nickel: nickel

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

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

Conditions

Conditions	Yield
at 170 - 180℃; Hydrogenation;

...Expand

: 60-29-7
diethyl ether

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

nickel: nickel

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

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

Conditions

Conditions	Yield
at 100 - 125℃; under 73550.8 - 110326 Torr; Hydrogenation;

...Expand

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

: 64-17-5
ethanol

nickel: nickel

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

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

Conditions

Conditions	Yield
at 100 - 125℃; under 73550.8 - 110326 Torr; Hydrogenation;

...Expand

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

: 82166-21-0
methyl cyclohexane

nickel: nickel

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

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

Conditions

Conditions	Yield
at 100 - 125℃; under 73550.8 - 110326 Torr; Hydrogenation;

...Expand

: 754-10-9
2,2-dimethylpropionamide

A: 630-18-2
tert-butyl isocyanide

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

Conditions

Conditions	Yield
With sodium tetrahydroborate In diethylene glycol dimethyl ether at 162℃; for 2h; Title compound not separated from byproducts.;	A 55 % Chromat. B 44 % Chromat.

: 3282-30-2
pivaloyl chloride

: 5813-64-9
2,2-dimethylpropylamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: water; ammonia 2: sodium; sec.octyl alcohol View Scheme

: 630-18-2
tert-butyl isocyanide

: 99707-12-7
(C5(CH3)5)2ScNHCH2C(CH3)3

A: 99707-13-8
(C5(CH3)5)2ScNC(NHCH2C(CH3)3)C(CH3)3

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

Conditions

Conditions	Yield
With hydrogen In benzene-d6 High Pressure; NMR tube charged with (C5Me5)2ScNHCH2CMe3 and C6D6, cooled to 77 K, t-BuCN condensed in, 700 torr of H2 introduced, sealed, reacted at 25°C and 4 atm of H2 for 17 h, heated to 80°C for further 24 h; not isolated; detected by NMR;

...Expand

: 630-18-2
tert-butyl isocyanide

A: N-(2,2-dimethylpropylidene)-2,2-dimethylpropylamine

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

C: 73311-43-0, 120491-25-0
2,2-dimethylpropan-1-imine

Conditions

Conditions	Yield
With Os(hydride)6(triisopropylphosphine)2; hydrogen In (2)H8-toluene at 100℃; under 3000.3 Torr; for 24h;	A 65 %Spectr. B 15 %Spectr. C 20 %Spectr.

...Expand

: 5813-64-9
2,2-dimethylpropylamine

: 76105-84-5
pyridin-4-yl isothiocyanate

: 60572-60-3
N-neo-pentyl-N'-4-pyridylthiourea

Conditions

Conditions	Yield
In diethyl ether at 0℃;	100%

: 5813-64-9
2,2-dimethylpropylamine

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

: 710976-87-7
tert-butyl 4-[(2,2-dimethylpropyl)amino]piperidine-1-carboxylate

Conditions

Conditions	Yield
With hydrogen; palladium 10% on activated carbon In ethanol under 3102.97 Torr; for 3h;	100%
Stage #1: 2.2-dimethylpropylamine; N-tert-butyloxycarbonylpiperidin-4-one With triethylamine; zinc(II) chloride In methanol at 65℃; for 6h; Stage #2: With sodium cyanoborohydride In methanol at 0 - 25℃; for 17h;	88%
With sodium tetrahydroborate In methanol at 0 - 20℃; for 42h;

: 5813-64-9
2,2-dimethylpropylamine

: (C5H5)Mo(NO)(CDC(CH3)3)(C5H5N)

: (C5H5)Mo(NO)(CHDC(CH3)3)(NHC(CH3)3)

Conditions

Conditions	Yield
In benzene-d6 byproducts: pyridine; air and H2O free atmosphere, NMR tube; 45°C (1 h); evapn. (vac.); detd. by (1)H NMR spectroscopy;	100%

: (C5H5)Mo(NO)(CHC(CH3)3)(C5H5N)

: 5813-64-9
2,2-dimethylpropylamine

: (C5H5)Mo(NO)(CH2C(CH3)3)(NHC(CH3)3)

Conditions

Conditions	Yield
In benzene-d6 air and H2O free atmosphere, NMR tube; room temp. (24 h); evapn. (vac.); detd. by (1)H NMR spectroscopy;	100%

: 5813-64-9
2,2-dimethylpropylamine

: 6939-93-1
4-bromo-isophthalic acid

: 2-bromo-5-{[(2,2-dimethylpropyl)amino]carbonyl}benzoic acid

Conditions

Conditions	Yield
Stage #1: 4-bromo-isophthalic acid With triethylamine In dichloromethane for 0.5h; Stage #2: With 1,1'-carbonyldiimidazole In dichloromethane for 1.08333h; Stage #3: 2.2-dimethylpropylamine In dichloromethane for 2.5h;	100%

: 5813-64-9
2,2-dimethylpropylamine

: 24050-49-5
3-bromonaphthalic-1,8-anhydride

: 1370793-37-5
5-bromo-2-neopentyl-1H-benzo[de]isoquinoline-1,3(2H)-dione

Conditions

Conditions	Yield
In 1,4-dioxane at 100℃; for 4h;	100%

: 5813-64-9
2,2-dimethylpropylamine

: 1442431-83-5
ethyl 5-(2-(tert-butyl)-6-(((trifluoromethyl)sulfonyl)oxy)pyridin-4-yl)-1-(cyclohexylmethyl)-2-methyl-1H-pyrrole-3-carboxylate

: 1442431-84-6
ethyl 5-(2-(tert-butyl)-6-(neopentylamino)pyridin-4-yl)-1-(cyclohexylmethyl)-2-methyl-1H-pyrrole-3-carboxylate

Conditions

Conditions	Yield
With palladium diacetate; sodium t-butanolate; DavePhos In toluene at 110℃; for 2h; Inert atmosphere;	100%

: 5813-64-9
2,2-dimethylpropylamine

: [(η5-C5Me4CH2CH2NZrNMe2)3]

: [(η5-C5Me4CH2CH2NZr)2(η5-C5Me4CH2CH2NZrNMe2)(μ-NPen-neo)]

Conditions

Conditions	Yield
In toluene at 20℃; for 0.166667h; Glovebox; Inert atmosphere;	100%

: 5813-64-9
2,2-dimethylpropylamine

: 1755-15-3
2-acetyldimedone

: 5,5-dimethyl-2-[1-(neopentylamino)ethylidene]-1,3-cyclohexanedione

Conditions

Conditions	Yield
In chloroform at 50℃; for 1h; Inert atmosphere;	100%

: 5840-76-6
sarcosine-N-carboxyanhydride

: 5813-64-9
2,2-dimethylpropylamine

: 556-02-5
tyrosine

: 37498-95-6
D-phenylalanine N-carboxyanhydride

Sar175-b-p-[D-Phe10-co-L-Tyr30]: Sar175-b-p-[D-Phe10-co-L-Tyr30]

Conditions

Conditions	Yield
Stage #1: sarcosine-N-carboxyanhydride; 2.2-dimethylpropylamine In N,N-dimethyl-formamide for 20h; Darkness; Stage #2: tyrosine; D-phenylalanine N-carboxyanhydride In N,N-dimethyl-formamide at 25℃; for 24h;	99.3%

...Expand

: 1-[5-(2-tert-butyl-5-methoxy-pyridin-4-ylcarbamoyl)-2-methyl-phenyl]-1H-[1,2,3]triazole-4-carboxylic acid

: 5813-64-9
2,2-dimethylpropylamine

: C26H34N6O3

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; HATU In DMF (N,N-dimethyl-formamide) at 20℃; for 18h;	99%

: 482344-60-5
3-(6-chloro-pyrimidin-4-ylamino)-4,N-dimethyl-benzamide

: 5813-64-9
2,2-dimethylpropylamine

: 482344-61-6
3-[6-(2,2-Dimethyl-propylamino)-pyrimidin-4-ylamino]-4,N-dimethyl-benzamide

Conditions

Conditions	Yield
In dimethyl sulfoxide	99%

: 56-05-3
2-Amino-4,6-dichloropyrimidine

: 5813-64-9
2,2-dimethylpropylamine

: 6-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine

Conditions

Conditions	Yield
With triethylamine In butan-1-ol at 110℃; for 12h; Inert atmosphere;	99%
With N-ethyl-N,N-diisopropylamine In butan-1-ol at 95℃;

: 5813-64-9
2,2-dimethylpropylamine

: 30925-18-9
2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester

: (S)-benzyl 2-(tert-butoxycarbonylamino)-4-(neopentylamino)-4-oxobutanoate

Conditions

Conditions	Yield
Stage #1: 2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 0.5h; Stage #2: 2.2-dimethylpropylamine With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 3h;	99%
With 4-methyl-morpholine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate In dichloromethane at 25℃; for 24h;

: 5813-64-9
2,2-dimethylpropylamine

: 26830-94-4
2,4-dichloropyrimidine-6-carboxylic acid chloride

: 2,6-dichloro-N-neopentylpyrimidine-4-carboxamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at -78 - 0℃;	99%

: 950661-87-7
2,4-dichloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

: 5813-64-9
2,2-dimethylpropylamine

: C18H28ClN5OSi

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In ethanol at 80℃; for 12h;	98.4%

: 5470-18-8
2-Chloro-3-nitropyridine

: 5813-64-9
2,2-dimethylpropylamine

: 1022146-57-1
N-neopentyl-3-nitropyridin-2-amine

Conditions

Conditions	Yield
With sodium carbonate In ethanol at 20℃; Inert atmosphere;	98.1%
With sodium carbonate In N,N-dimethyl-formamide at 90℃;

: 5813-64-9
2,2-dimethylpropylamine

: 143966-30-7
propyl N-cyano-3-pyridinecarboximidate

: N-cyano-N'-(2,2-dimethylpropyl)-3-pyridinecarboxamidine

Conditions

Conditions	Yield
In methanol Ambient temperature;	98%

: 5813-64-9
2,2-dimethylpropylamine

: 193287-74-0
methyl (2S,5S)-{5-methoxycarbonylmethyl-3,6-dioxo-1,4-bis[(phenylmethylcarbamoyl)methyl]piperazin-2-yl}acetate

: 2-{(2S,5S)-1,4-Bis-(benzylcarbamoyl-methyl)-5-[(2,2-dimethyl-propylcarbamoyl)-methyl]-3,6-dioxo-piperazin-2-yl}-N-(2,2-dimethyl-propyl)-acetamide

Conditions

Conditions	Yield
Stage #1: methyl (2S,5S)-{5-methoxycarbonylmethyl-3,6-dioxo-1,4-bis[(phenylmethylcarbamoyl)methyl]piperazin-2-yl}acetate With sodium hydroxide In methanol Hydrolysis; Stage #2: With 2,6-dimethylpyridine; isobutyl chloroformate In N,N-dimethyl-formamide at -15℃; Acylation; Stage #3: 2.2-dimethylpropylamine In N,N-dimethyl-formamide at -15 - 20℃; Acylation;	98%
Stage #1: methyl (2S,5S)-{5-methoxycarbonylmethyl-3,6-dioxo-1,4-bis[(phenylmethylcarbamoyl)methyl]piperazin-2-yl}acetate With sodium hydroxide In methanol Hydrolysis; Stage #2: With 2,6-dimethylpyridine; isobutyl chloroformate In N,N-dimethyl-formamide at -15℃; Acylation; Stage #3: 2.2-dimethylpropylamine In N,N-dimethyl-formamide at -15 - 20℃; Acylation; Further stages.;	98%

: 942289-64-7
methyl 2-bromo-1-methyl-1H-1,3-benzodiazole-5-carboxylate

: 5813-64-9
2,2-dimethylpropylamine

: 942289-67-0
methyl 2-[(2,2-dimethylpropyl)amino]-1-methyl-1H-benzimidazole-5-carboxylate

Conditions

Conditions	Yield
With cesium fluoride In dimethyl sulfoxide at 115℃; for 7h; Microwave irradiation;	98%

: 264879-17-6
ethyl 6-chloro-7-fluoro-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate

: 5813-64-9
2,2-dimethylpropylamine

: ethyl 6-chloro-7-(neopentylamino)-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 90℃; for 24h;	98%

: 775336-30-6
ethyl 7-fluoro-2-(trifluoromethyl)-2H-chromene-3-carboxylate

: 5813-64-9
2,2-dimethylpropylamine

: ethyl 7-(neopentylamino)-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 90℃; for 24h;	98%

: 5813-64-9
2,2-dimethylpropylamine

: 96042-30-7
4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran

: 75-36-5
acetyl chloride

A: 15501-39-0
N-neopentyl-acetamide

B: 17839-28-0
(2,2-Dimethyl-propyl)-ethyl-amine

Conditions

Conditions	Yield
With triethylamine	A n/a B 98%
With triethylamine	A n/a B 98%

...Expand

: 1121-60-4
pyridine-2-carbaldehyde

: 5813-64-9
2,2-dimethylpropylamine

: 121532-32-9
NC5H4-2-C(H)=N(neo-Pent)

Conditions

Conditions	Yield
With magnesium sulfate In dichloromethane for 2h; Glovebox;	98%

: 7703-74-4
2,6-bis-(bromomethyl)pyridine

: 5813-64-9
2,2-dimethylpropylamine

: 2,6-bis[(neo-pentylamino)methyl]pyridine

Conditions

Conditions	Yield
at 20℃; for 17h; Inert atmosphere; Schlenk technique; Glovebox;	98%

: 5840-76-6
sarcosine-N-carboxyanhydride

: 5813-64-9
2,2-dimethylpropylamine

: 556-02-5
tyrosine

: 37498-95-6
D-phenylalanine N-carboxyanhydride

Sar175-b-p-[D-Phe15-co-L-Tyr25]: Sar175-b-p-[D-Phe15-co-L-Tyr25]

Conditions

Conditions	Yield
Stage #1: sarcosine-N-carboxyanhydride; 2.2-dimethylpropylamine In N,N-dimethyl-formamide for 20h; Darkness; Stage #2: tyrosine; D-phenylalanine N-carboxyanhydride In N,N-dimethyl-formamide at 25℃; for 24h;	97.7%

...Expand

: 5813-64-9
2,2-dimethylpropylamine

: 34582-32-6
N-tert-butoxycarbonyl aspartic acid tert-butyl ester

: 890660-33-0
Boc-neopentyl-Asn-O-tBu

Conditions

Conditions	Yield
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃;	97%
Stage #1: N-tert-butoxycarbonyl aspartic acid tert-butyl ester With 4-methyl-morpholine; 1-hydroxy-7-aza-benzotriazole; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In N,N-dimethyl-formamide for 0.25h; Stage #2: 2.2-dimethylpropylamine In N,N-dimethyl-formamide for 4h;	90%
With 4-methyl-morpholine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate In DMF (N,N-dimethyl-formamide) at 20℃; for 4h;	81%

: 75-21-8
oxirane

: 5813-64-9
2,2-dimethylpropylamine

: 7403-68-1
2-[(2,2-dimethylpropyl)amino]ethanol

Conditions

Conditions	Yield
In methanol at -30 - 20℃; for 16h;	97%

: 5813-64-9
2,2-dimethylpropylamine

: N-(5,5-diethoxy-1,1,1-trifluoropent-3-yn-2-ylidene)-1,1,1-triphenylmethanamine

: 1613459-66-7
2-(tert-butyl)-6-(diethoxymethyl)-3-fluoro-N-tritylpyridin-4-amine

Conditions

Conditions	Yield
Stage #1: 2.2-dimethylpropylamine; N-(5,5-diethoxy-1,1,1-trifluoropent-3-yn-2-ylidene)-1,1,1-triphenylmethanamine In dimethyl sulfoxide at 20 - 30℃; for 0.5h; Stage #2: With caesium carbonate In dimethyl sulfoxide at 100℃; for 16h;	97%

: 5813-64-9
2,2-dimethylpropylamine

: 137252-25-6
HU-331

: (1'R,6'R)- 3-(neopentylamino)-6-hydroxy-3'-methyl-4-pentyl-6'-(prop-1-en-2-yl)-[1,1'-bi(cyclohexane)]-2',3,6-triene-2,5-dione

Conditions

Conditions	Yield
With air In ethanol at 20℃; for 20h;	97%

Neopentylamine 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

Product Name

Neopentylamine

Synthetic route

Neopentylamine Specification

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