Neopentyl iodide supplier | CasNO.15501-33-4

Name
Neopentyl iodide
EINECS 239-533-0
CAS No. 15501-33-4
Article Data26
CAS DataBase
Density 1.524 g/cm³
Solubility
Melting Point -85.6°C (estimate)
Formula C₅H₁₁I
Boiling Point 126.2 °C at 760 mmHg
Molecular Weight 198.047
Flash Point 32.8 °C
Transport Information UN 1993
Appearance colourless to light red liquid
Safety 26-36
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Iodo-2,2-dimethylpropane;2,2-Dimethyl-1-iodopropane;2,2-Dimethylpropyl iodide;NSC 617421;Neopentyliodide;
PSA 0.00000
LogP 2.46750

Synthetic route

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

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
With 1-iodo-N,N,2-trimethylprop-1-en-1-amine In dichloromethane for 12h; Reflux; Inert atmosphere;	74%
With phosphorus; iodine
With pyridine; hydrogen fluoride; potassium iodide

: 66143-46-2
2-dimethylamino-ethanesulfonic acid 2,2-dimethyl-propyl ester; hydriodide

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide at 120 - 130℃; for 2h;	68%
In N,N-dimethyl-formamide

: 75391-29-6
neopentyl 2-(dimethylamino)ethanesulfonate

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
With hydrogen iodide In water; N,N-dimethyl-formamide at 120 - 130℃; for 2.5h;	68%

: 87445-01-0
1-(2,2-dimethyl-propyl)-2,4-diphenyl-5,6-dihydro-benzo[h]quinolinium; iodide

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
at 230 - 240℃; under 0.3 - 0.8 Torr;	66%

: 83634-79-1
2-<(2,2-dimethylpropoxy)sulfonyl>-N,N,N-trimethylethanaminium iodide

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 110℃; for 2h;	50%

: 463-82-1
2,2-dimethylpropane

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
With tert-butylhypochlorite; mercury(II) iodide In 1,1,2-Trichloro-1,2,2-trifluoroethane at 47℃; for 8h; Irradiation;	28%
With tert-Butyl hypoiodite In tetrachloromethane

: 2346-07-8
neopentyl tosylate

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
With sodium iodide
With potassium iodide In N,N-dimethyl-formamide at 99.9℃; for 8h;
With potassium iodide In N,N-dimethyl-formamide

: 13132-23-5
2,2-dimethylpropylmagnesium chloride

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
With diethyl ether; iodine

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

: 74-88-4
methyl iodide

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
With triphenyl phosphite

: 54722-84-8
phosphonic acid bis-(2,2-dimethyl-propyl) ester

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
With hydrogen iodide

: 630-17-1
2,2-dimethylpropyl bromide

A: 15501-33-4
neopentyl iodide

B: 594-38-7
2-iodo-2-methylbutane

Conditions

Conditions	Yield
With hydrogen iodide; cetyltributylphosphonium bromide at 105℃; for 60h;	A 73 % Spectr. B 14 % Spectr.

: 2443-89-2
1,1-Diiodo-2,2-dimethylpropane

A: 513-35-9
2-methyl-but-2-ene

B: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
In 1,2-dichloro-ethane; cyclohexene for 20h; Irradiation;	A 61 % Chromat. B 7 % Chromat.
In 1,2-dichloro-ethane; cyclohexene for 20h; Product distribution; Irradiation; variation of solvent and time;	A 61 % Chromat. B 7 % Chromat.
With sodium hydrogencarbonate; sodium thiosulfate In 1,2-dichloro-ethane for 31h; Product distribution; Irradiation;	A 65 % Chromat. B n/a

: 2443-89-2
1,1-Diiodo-2,2-dimethylpropane

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
In cyclohexene for 4h; Irradiation;	32 % Chromat.

: 80667-83-0
Imidazole-1-sulfonic acid 2,2-dimethyl-propyl ester

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In N,N,N,N,N,N-hexamethylphosphoric triamide Ambient temperature;

: 74745-83-8
iodo-neopentoxyphosphonium salt

: 15501-33-4
neopentyl iodide

: 65007-83-2
2-(neopentyloxy)benzo-1,3,2-dioxaphosphole

A: 15501-33-4
neopentyl iodide

B: 594-38-7
2-iodo-2-methylbutane

C: 74746-01-3
2-Iodo-benzo[1,3,2]dioxaphosphole 2-oxide

...Expand

: 10034-85-2
hydrogen iodide

: 126-30-7
2,2-Dimethyl-1,3-propanediol

A: 15501-33-4
neopentyl iodide

B: 51916-34-8
3-iodo-2,2-dimethyl-1-propanol

Conditions

Conditions	Yield
at 100℃;

...Expand

2,2-dimethyl-propan-1-ol: 2,2-dimethyl-propan-1-ol

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
With hydrogen iodide

dimethyltrimethylene glycol: dimethyltrimethylene glycol

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
With hydrogen iodide at 100 - 110℃;

neopentylmercury chloride: neopentylmercury chloride

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
With water; iodine; potassium iodide

: 7732-18-5
water

: 7553-56-2
iodine

: 10284-47-6
chloro(2,2-dimethylpropyl)mercury

KI: KI

: 15501-33-4
neopentyl iodide

...Expand

: 5813-64-9
2,2-dimethylpropylamine

: 15501-33-4
neopentyl iodide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) triethylamine, 2.) glacial acetic acid / 1.) methylene chloride, 25 deg C, 8 h, 2.) 6 h, 3.) water 2: 66 percent / 230 - 240 °C / 0.3 - 0.8 Torr View Scheme

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

A: 15501-33-4
neopentyl iodide

B lithium chloride: lithium chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: PBr3 2: HI View Scheme
Multi-step reaction with 2 steps 2: dimethylformamide View Scheme

: 2075-46-9
4-nitro-1H-pyrazole

: 15501-33-4
neopentyl iodide

: 1-neopentyl-4-nitro-1H-pyrazole

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 48h;	99%

: 15501-33-4
neopentyl iodide

: C5H11N(15)N2

Conditions

Conditions	Yield
With hexadecyltributylphosphonium (1,3-15N2)-azide	97%

: 15501-33-4
neopentyl iodide

: 123-31-9
hydroquinone

: 125520-67-4
1,4-Bis(2,2-dimethylpropoxy)benzol

Conditions

Conditions	Yield
With CsCO3 In diethylene glycol dimethyl ether at 150 - 160℃; for 72h; other hydroquinones, also phenol and hydroquinone diacetates;	96%
With CsCO3 In diethylene glycol dimethyl ether at 150 - 160℃; for 72h; reduced pressure;	96%
With potassium carbonate In N,N-dimethyl-formamide at 120℃; Sealed tube;	70%

: 15501-33-4
neopentyl iodide

: 108-98-5
thiophenol

: 7210-80-2
neopentyl phenyl sulphide

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide for 1h; Inert atmosphere; Irradiation;	96%

: 292638-84-7
styrene

: 15501-33-4
neopentyl iodide

: 127-09-3
sodium acetate

: (S)-4,4-dimethyl-1-phenylpentyl acetate

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In ethanol at 20 - 25℃; for 10h; Irradiation;	96%

...Expand

: 15501-33-4
neopentyl iodide

: 5969-70-0
triptycene-1,4-diol

: 125540-51-4
9,10-Dihydro-1,4-bis(2,2-dimethylpropoxy)-9,10<1',2'>benzenoanthracen

Conditions

Conditions	Yield
With CsCO3 In diethylene glycol dimethyl ether at 150 - 160℃; for 70h; reduced pressure;	95%

: 15501-33-4
neopentyl iodide

: 1666-13-3
diphenyl diselenide

: 96503-15-0
2,2-dimethyl-1-propyl phenyl selenide

Conditions

Conditions	Yield
With dipotassium hydrogenphosphate; zinc In water; acetonitrile for 1h;	95%

: 15501-33-4
neopentyl iodide

: 7699-79-8
benzhydrylidene-benzyl-amine

: N-(diphenylmethylene)-3,3-dimethyl-1-phenylbutan-1-amine

Conditions

Conditions	Yield
With sodium hexamethyldisilazane In tert-butyl methyl ether at 23℃; for 2h; Reagent/catalyst; Solvent; Concentration; Inert atmosphere; Glovebox;	95%

: 15501-33-4
neopentyl iodide

: 108-95-2
phenol

: 2189-88-0
1-phenoxy-2,2-dimethylpropane

Conditions

Conditions	Yield
With CsCO3 In diethylene glycol dimethyl ether at 150 - 160℃; for 12h; reduced pressure;	94%

: 15501-33-4
neopentyl iodide

: 1889-59-4
ethyl vinyl sulfone

: ethyl 4,4-dimethylpentyl sulfone

Conditions

Conditions	Yield
With copper(l) iodide; zinc In N,N-dimethyl-formamide at 0 - 20℃;	94%

: 15501-33-4
neopentyl iodide

A: 1071-81-4
2,2,5,5-tetramethylhexane

B: 463-82-1
2,2-dimethylpropane

C: 1630-94-0
1,1-dimethylcyclopropane

Conditions

Conditions	Yield
With tetrabutylammonium perchlorate; nickel(II) perchlorate; triphenylphosphine In acetonitrile at 25℃;	A 92% B 2.5% C 2.5%

...Expand

: 15501-33-4
neopentyl iodide

: 98-86-2
acetophenone

: 37608-93-8
4,4-dimethyl-1-phenylpentan-1-one

Conditions

Conditions	Yield
With potassium tert-butylate; iron(II) bromide In dimethyl sulfoxide at 60℃; for 0.666667h;	92%
With potassium tert-butylate In dimethyl sulfoxide for 4h; Irradiation;	65 % Chromat.

: 15501-33-4
neopentyl iodide

: 16643-09-7
trimethylstannyl sodium

: 55204-72-3
(neopentyl)trimethylstannane

Conditions

Conditions	Yield
In tetrahydrofuran 0°C in N2-atmosphere; various yields for various conditions;	92%

: 15501-33-4
neopentyl iodide

: 4-tert-butyl-5-(2'-hydroxy-2-methoxy-1,1'-binaphthyl-7-yl)-3,3-dimethyl-2,3-dihydrofuran

: C36H42O3

Conditions

Conditions	Yield
Stage #1: 4-tert-butyl-5-(2'-hydroxy-2-methoxy-1,1'-binaphthyl-7-yl)-3,3-dimethyl-2,3-dihydrofuran With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.5h; Inert atmosphere; Stage #2: neopentyl iodide In N,N-dimethyl-formamide for 2h; Inert atmosphere; Reflux;	92%

: 15501-33-4
neopentyl iodide

: 1039451-34-7
1-neopentyl-1H-1,3-benzazaphosphole

: 1,3-bis(2,2-dimethylpropyl)-1,3-benzazaphospholine 3-oxide

Conditions

Conditions	Yield
With copper(l) iodide; water; cesium acetate In N,N-dimethyl-formamide at 125℃; under 0.750075 Torr; for 18h; Schlenk technique; Inert atmosphere;	92%

: 15501-33-4
neopentyl iodide

: 113832-57-8, 1193-93-7
N-ethylidenecyclohexylamine

: 169749-84-2
4-t-butoxy-3-methyl-2,5-difluoropyridine

: 2-(4-tert-Butoxy-5-fluoro-3-methyl-pyridin-2-yl)-4,4-dimethyl-pentanal

Conditions

Conditions	Yield
With lithium diisopropyl amide at 0 - 25℃;	91%

...Expand

: 15501-33-4
neopentyl iodide

: 53335-25-4
{difluoro{N,N'-bis(3-pentanon-2-ylidene)-1,3-diaminopropanedioximato}borato}rhodium

: 99355-17-6
(neopentyl)iodo{difluoro{2,2'-{1,3-propanediylbis(nitrilo)}bis{3-pentanone oximato}}borato}rhodium(III)

Conditions

Conditions	Yield
In tetrahydrofuran Kinetics; under N2, in the dark, Rh(I) reagent and 1.5 equiv. of t-BuCH2I refluxed in THF for 1 h / kinetics measured at 30.5+-2°C; recrystd. from CH2Cl2/EtOH; elem. anal.;	91%
In [D3]acetonitrile Kinetics; under N2, in the dark, Rh(I) reagent and t-BuCH2I reacted in CD3CN at 28.5°C; monitored by NMR;

: 15501-33-4
neopentyl iodide

: 615-67-8
chloro-p-hydroquinone

: 125520-68-5
2-Chlor-1,4-bis(2,2-dimethylpropoxy)benzol

Conditions

Conditions	Yield
With CsCO3 In diethylene glycol dimethyl ether at 150 - 160℃; for 18h; reduced pressure;	90%

: 15501-33-4
neopentyl iodide

: C17H31P2(1+)*I(1-)

: C22H42P2

Conditions

Conditions	Yield
Stage #1: neopentyl iodide With tert.-butyl lithium In diethyl ether; pentane at 20℃; for 0.5h; Cooling; Stage #2: C17H31P2(1+)*I(1-) In diethyl ether; pentane at 20℃; for 1.5h;	90%

: 771-50-6
1H-indole-3-carboxylic acid

: 15501-33-4
neopentyl iodide

: 739365-09-4
1-(2,2-Dimethylpropyl)-1H-indole-3-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 1H-indole-3-carboxylic acid With sodium hydride In DMF (N,N-dimethyl-formamide) at 20℃; for 0.166667h; Stage #2: neopentyl iodide In DMF (N,N-dimethyl-formamide) at 80℃; for 15h;	89%

: 41288-96-4
6-chloropyridine-3-ol

: 15501-33-4
neopentyl iodide

: 1154030-27-9
2-chloro-5-(2,2-dimethylpropoxy)pyridine

Conditions

Conditions	Yield
With caesium carbonate In diethylene glycol dimethyl ether at 160℃; for 4h; microwave irradiation;	88%
With caesium carbonate In diethylene glycol dimethyl ether at 160℃; for 4h; Microwave irradiation;	88%

: 1202-34-2
di(pyridin-2-yl)amine

: 15501-33-4
neopentyl iodide

: 1258543-20-2
N-(2,2-dimethylpropyl)-N-(2-pyridyl)pyridin-2-amine

Conditions

Conditions	Yield
Stage #1: di(pyridin-2-yl)amine With potassium hydroxide In dimethyl sulfoxide for 0.75h; Stage #2: neopentyl iodide In dimethyl sulfoxide at 20℃; for 20h;	88%

: 15501-33-4
neopentyl iodide

: 123368-97-8
2-[N-methyl-N-(pyridin-2-yl)amino]pyridine

: 1258543-20-2
N-(2,2-dimethylpropyl)-N-(2-pyridyl)pyridin-2-amine

Conditions

Conditions	Yield
Stage #1: 2-[N-methyl-N-(pyridin-2-yl)amino]pyridine With potassium hydroxide In dimethyl sulfoxide for 0.75h; Schlenk technique; Inert atmosphere; Stage #2: neopentyl iodide In dimethyl sulfoxide at 25℃; for 20h; Schlenk technique; Inert atmosphere;	88%

: 15501-33-4
neopentyl iodide

: 3-methyl-1,3-diphenylcyclobutanol

: 1432045-57-2
3,6,6-trimethyl-1,3-diphenylheptan-1-one

Conditions

Conditions	Yield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; caesium carbonate In toluene at 110℃; for 14h; Inert atmosphere;	87%

: 292638-84-7
styrene

: 15501-33-4
neopentyl iodide

: 40132-64-7
4,4-dimethyl-1-phenyl-1-pentene

Conditions

Conditions	Yield
With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In benzene at 20℃; for 12h; Heck Reaction; Inert atmosphere; Glovebox; Irradiation; Sealed tube; Schlenk technique;	87%

: 15501-33-4
neopentyl iodide

: 1258870-28-8
3,4,8,9-tetramethyl-1,6-diphospha-bicyclo-[4.4.0]deca-3,8-diene

: C17H31P2(1+)*I(1-)

Conditions

Conditions	Yield
In neat (no solvent) at 130℃; for 14h; Inert atmosphere; Glovebox;	87%

: 15501-33-4
neopentyl iodide

: phenylmagnesium bromide

: 1007-26-7
(2,2-dimethyl-1-propyl)benzene

Conditions

Conditions	Yield
[1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride In diethyl ether Heating;	86%
[Li(tmeda)]2[Fe(C2H4)4] In tetrahydrofuran at 0℃;	74%

: 15501-33-4
neopentyl iodide

: 91-60-1
2-Naphthalenethiol

: 1296204-18-6
2-naphthyl neopentyl sulfide

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide for 1h; Inert atmosphere; Irradiation;	86%

: 15501-33-4
neopentyl iodide

: 27126-76-7
[hydroxy(tosyloxy)iodo]benzene

: Toluene-4-sulfonic acid 1,1-dimethyl-propyl ester

Conditions

Conditions	Yield
In dichloromethane for 3h; Ambient temperature;	85%

: 15501-33-4
neopentyl iodide

: 2-acetyl-1-methylpyrrole enolate ion

: 1-(1-methyl-1H-pyrrole-2-yl)-4,4-dimethyl-pentanone

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide at 40℃; for 3h; Substitution; Irradiation;	85%

Neopentyl iodide Specification

The Neopentyl iodide with the cas number 15501-33-4 is also called Propane,1-iodo-2,2-dimethyl-. Both the systematic name and IUPAC name are 1-iodo-2,2-dimethylpropane. Its EINECS registry number is 239-533-0. The molecular formula is C₅H₁₁I. This chemical is colourless to light red liquid.

The properties of the chemical are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 175.75; (6)ACD/BCF (pH 7.4): 175.75; (7)ACD/KOC (pH 5.5): 1407.7; (8)ACD/KOC (pH 7.4): 1407.7; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 38.14 cm³; (15)Molar Volume: 129.9 cm³; (16)Polarizability: 15.12×10^-24cm³; (17)Surface Tension: 28.4 dyne/cm; (18)Enthalpy of Vaporization: 34.9 kJ/mol; (19)Vapour Pressure: 14.2 mmHg at 25°C.

Preparation: This chemical can be prepared by 2-dimethylamino-ethanesulfonic acid 2,2-dimethyl-propyl ester; hydriodide. This reaction needs solvent dimethylformamide.

Uses: This chemical can react with (R)-1-phenyl-ethylamine to prepare neopentyl-((R)-1-phenyl-ethyl)-amine. This reaction needs reagent Na₂CO₃ and DMPU at temperature of 100 °C. The reaction time is 65 hours. The yield is 32%.

While using this chemical, you should be very cautious. This chemical is flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ICC(C)(C)C
(2)InChI: InChI=1/C5H11I/c1-5(2,3)4-6/h4H2,1-3H3
(3)InChIKey: CJTZXIJETZZARD-UHFFFAOYAL

Product Name

Neopentyl iodide

Synthetic route

Neopentyl iodide Specification

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