2,3-Dimethylbutane supplier

Name
2,3-Dimethylbutane
EINECS 201-193-6
CAS No. 79-29-8
Article Data314
CAS DataBase
Density 0.662 g/mL at 25 °C(lit.)
Solubility
Melting Point -129 °C
Formula C6H14
Boiling Point 58 °C(lit.)
Molecular Weight 86.1772
Flash Point ?28 °F
Transport Information UN 2457 3
Appearance clear, colorless liquid
Safety Probably an irritant and narcotic in high concentration. A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. Keep away from heat and open flame. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
Risk Codes 11-65
Molecular Structure
Hazard Symbols Flammable, dangerous fire and explosion risk.
Synonyms 1,1,2,2-Tetramethylethane;2,3-Dimethylbutane; Biisopropyl; Diisopropyl; NSC 24837
PSA 0.00000
LogP 2.29840

Synthetic route

: 563-79-1
2,3-Dimethyl-2-butene

: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
With C40H56N2RuSi4; hydrogen In toluene at 25℃; under 760.051 Torr; for 6h; Schlenk technique;	99%
With C40H56FeN2Si4(2-); hydrogen In 1,2-dimethoxyethane at 80℃; under 7600.51 Torr; for 6h; Schlenk technique; Autoclave;	99%
With nickel(II) bis(octanoate); hydrogen; 1,4-bis(2,6-diisopropylphenyl)-2,3-dimethyl-1,4-diazabuta-1,3-diene; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In benzene-d6 at 50℃; under 3040.2 Torr; for 24h; Reagent/catalyst;	91%

: 513-81-5
2,3-dimethyl-buta-1,3-diene

: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
With C28H32PZr(1+)*C19H3BF15(1-); hydrogen at 20℃; for 2h; Reagent/catalyst; Glovebox; Schlenk technique;	89%
at 82℃; Hydrogenation;
With nickel kieselguhr under 73550.8 Torr; Hydrogenation;

: 12176-06-6
hydrido(tricarbonyl)(cyclopentadienyl)molybdenum

: 1493-13-6
trifluorormethanesulfonic acid

: 563-78-0
2,3-Dimethyl-1-butene

A: (η5-C5H5)(OC)3MoOSO2CF3

B: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
In dichloromethane-d2 react. at -75°C for 5 min; quenching by pyridine, detecting by n.m.r. spectroscopy;	A n/a B 86%

...Expand

: 87050-44-0
(η5-pentamethylcyclopentadienyl)hafnium(2,3-dimethyl-1,3-butadiene)chloride

: 1333-74-0
hydrogen

A: 563-79-1
2,3-Dimethyl-2-butene

B: 113180-42-0
tetrakis{(pentamethylcyclopentadienyl)hafnium dihydride chloride}*(toluene)0.5

C: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
In toluene A pressure vessel is filled with a soln. of (C5Me5)Hf(C6H10)Cl in toluene and charged with 10 atm of H2, reaction mixture is stirred overnight at 70°C under N2.; Excess H2 is released, hot soln. is transferred into a Schlenk vessel, cooling of the soln. to room temp., a bright yellow ppt. is formed, solvent is decanted, ppt. is redissolved (hot toluene), slow cooling to -30°C, elem. anal.;	A n/a B 56% C n/a

Yield

In toluene A pressure vessel is filled with a soln. of (C5Me5)Hf(C6H10)Cl in toluene and charged with 10 atm of H2, reaction mixture is stirred overnight at 70°C under N2.; Excess H2 is released, hot soln. is transferred into a Schlenk vessel, cooling of the soln. to room temp., a bright yellow ppt. is formed, solvent is decanted, ppt. is redissolved (hot toluene), slow cooling to -30°C, elem. anal.;

A n/a
B 56%
C n/a

...Expand

: 513-81-5
2,3-dimethyl-buta-1,3-diene

A: 563-79-1
2,3-Dimethyl-2-butene

B: 79-29-8
2,3-dimethylbutane

C: 563-78-0
2,3-Dimethyl-1-butene

Conditions

Conditions	Yield
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.25h; Product distribution; Ambient temperature; various time;	A 39.3% B 0.05% C 52.2%
With hydrogen; 1,5-hexadienerhodium(I)-chloride dimer In various solvent(s) for 2h; Ambient temperature; pH=7.6;	A 27% B 25% C 22%
With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; hydrogen; disodium salt of the bis(m-sulfonatophenyl)-n-butylphosphane at 60℃; under 22502.3 Torr; for 6h; Ionic liquid; chemoselective reaction;

...Expand

: 1418118-69-0
C30H74O6Si6

A: 110-54-3
hexane

B: 96-14-0
3-methylpentane

C: 107-83-5
2-Methylpentane

D: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
With H2SiEt2; [(2,6-[OP(tBu)2]2C6H3)Ir(H)(acetone)]+[B(C6F5)4]- for 336h; Inert atmosphere; Glovebox;	A 45% B 6% C 8% D n/a

...Expand

: 1516-68-3
O,O-diethyl azidophosphate

A: 1068-21-9
Diethyl phosphoramidate

B: 79-29-8
2,3-dimethylbutane

C: 123150-70-9
(1,1,2-Trimethyl-propyl)-phosphoramidic acid diethyl ester

D: 123150-71-0
(2,3-Dimethyl-butyl)-phosphoramidic acid diethyl ester

Conditions

Conditions	Yield
In various solvent(s) at 22℃; Irradiation;	A 40.1% B n/a C 28.2% D 30.6%

...Expand

: 67-56-1
methanol

: 563-79-1
2,3-Dimethyl-2-butene

A: 79-29-8
2,3-dimethylbutane

B: 55505-23-2
2,2,3-trimethyl-1-butanol

C: 52670-36-7
hexamethyl-2,3,3,4,4,5 hexane

Conditions

Conditions	Yield
With europium(III) chloride In methanol for 8h; Irradiation;	A 26% B 37% C 4%

...Expand

: 110-54-3
hexane

A: 96-14-0
3-methylpentane

B: 107-83-5
2-Methylpentane

C: 75-83-2
2,2-Dimethylbutane

D: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
platinum at 250℃; Product distribution; Further Variations:; Catalysts; Temperatures;	A 22.1% B 34.8% C 12.9% D 9%
With hydrogen at 215℃; under 7500.75 Torr; Catalytic behavior; Kinetics; Reagent/catalyst; Temperature; Flow reactor; Overall yield = 62.1 %;	A n/a B n/a C 6.7% D 8%
Pt-Al2O3-Cl at 100 - 140℃; under 15001.2 Torr; Product distribution;

...Expand

: 1418118-67-8
C22H52O5Si4

A: 110-54-3
hexane

B: 96-14-0
3-methylpentane

C: 107-83-5
2-Methylpentane

D: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
With H2SiEt2; [(2,6-[OP(tBu)2]2C6H3)Ir(H)(acetone)]+[B(C6F5)4]- for 336h; Inert atmosphere; Glovebox;	A 17% B 32% C 31% D n/a

...Expand

: 67-56-1
methanol

A: 108-08-7
2,4-dimethylpentane

B: 565-59-3
2,3-dimethyl pentane

C: 75-28-5
Isobutane

D: 78-78-4
methylbutane

E: 96-14-0
3-methylpentane

F: 107-83-5
2-Methylpentane

G: 79-29-8
2,3-dimethylbutane

H: 464-06-2
triptane

I: 95-93-2
1,2,4,5-tetramethylbenzene

J: 527-53-7
1,2,3,5-Tetramethylbenzene

K: 700-12-9
pentamethylbenzene,

L: 87-85-4
Hexamethylbenzene

Conditions

Conditions	Yield
With isopropyl alcohol; indium (III) iodide at 200℃; for 2 - 3h;	A n/a B n/a C n/a D n/a E n/a F n/a G n/a H 16.7% I n/a J n/a K n/a L n/a

...Expand

: 67-56-1
methanol

A: 75-28-5
Isobutane

B: 78-78-4
methylbutane

C: 96-14-0
3-methylpentane

D: 107-83-5
2-Methylpentane

E: 79-29-8
2,3-dimethylbutane

F: 464-06-2
triptane

G: 700-12-9
pentamethylbenzene,

H: 87-85-4
Hexamethylbenzene

Conditions

Conditions	Yield
With isopropyl alcohol; indium (III) iodide at 200℃; for 2 - 3h; Product distribution / selectivity;	A 7.5% B 8.7% C 0.9% D 1.4% E 2.9% F 12.8% G 7.1% H 3.1%
With hypophosphorous acid; isopropyl alcohol; indium (III) iodide at 200℃; for 2 - 3h; Product distribution / selectivity;	A 10.7% B 10.5% C 1.5% D 2.4% E 2.2% F 9.8% G 3.6% H 1.3%

...Expand

: 110-54-3
hexane

A: 75-83-2
2,2-Dimethylbutane

B: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
With hydrogen; tungsten-zirconia-platinum catayst In water at 287.768℃; Product distribution / selectivity;	A 9.377% B 7.065%
With hydrogen at 220℃; under 20 Torr;

: 78-78-4
methylbutane

: 74-85-1
ethene

A: 591-76-4
2-Methylhexane

B: 565-59-3
2,3-dimethyl pentane

C: 96-14-0
3-methylpentane

D: 107-83-5
2-Methylpentane

E: 75-83-2
2,2-Dimethylbutane

F: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
water; fluorosulphonic acid at -15℃; for 1.5h; Product distribution;	A 5.8% B 6.2% C 8% D n/a E 6.5% F n/a

...Expand

: 75-28-5
Isobutane

: 74-85-1
ethene

A: 560-21-4
2,3,3-Trimethyl-pentane

B: 78-78-4
methylbutane

C: 107-83-5
2-Methylpentane

D: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
aluminium trichloride-diethyl ether (1/1) at 30℃; under 1520 Torr; for 0.5h; Further byproducts given;	A n/a B 5.2% C n/a D n/a

...Expand

: 75-28-5
Isobutane

: 74-85-1
ethene

A: 565-75-3
2,3,4-trimethylpentane

B: 78-78-4
methylbutane

C: 107-83-5
2-Methylpentane

D: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
aluminium trichloride-diethyl ether (1/1) at 30℃; under 1520 Torr; for 0.5h; Further byproducts given;	A 3.6% B 5.2% C n/a D n/a

...Expand

: 75-28-5
Isobutane

: 74-85-1
ethene

A: 584-94-1, 116724-01-7
2,3-dimethylhexane

B: 78-78-4
methylbutane

C: 107-83-5
2-Methylpentane

D: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
aluminium trichloride-diethyl ether (1/1) at 30℃; under 1520 Torr; for 0.5h; Further byproducts given;	A n/a B 5.2% C n/a D n/a

...Expand

: 75-28-5
Isobutane

: 74-85-1
ethene

A: 589-43-5
2,4-dimethylhexane

B: 78-78-4
methylbutane

C: 107-83-5
2-Methylpentane

D: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
aluminium trichloride-diethyl ether (1/1) at 30℃; under 1520 Torr; for 0.5h; Further byproducts given;	A 2.5% B 5.2% C n/a D n/a

...Expand

: 67-56-1
methanol

: 75-28-5
Isobutane

A: 78-78-4
methylbutane

B: 79-29-8
2,3-dimethylbutane

C: 464-06-2
triptane

D: 700-12-9
pentamethylbenzene,

E: 87-85-4
Hexamethylbenzene

Conditions

Conditions	Yield
With adamantane; indium (III) iodide at 200℃; for 12h; Product distribution / selectivity;	A n/a B n/a C 5% D n/a E n/a

...Expand

: 67-56-1
methanol

: 75-28-5
Isobutane

A: 78-78-4
methylbutane

B: 79-29-8
2,3-dimethylbutane

C: 464-06-2
triptane

Conditions

Conditions	Yield
With adamantane; indium (III) iodide at 200℃; for 1 - 5h; Product distribution / selectivity;	A n/a B n/a C 4%

...Expand

: 464-06-2
triptane

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

B: 75-83-2
2,2-Dimethylbutane

C: 79-29-8
2,3-dimethylbutane

D C1, C3, i-C4, i-C5: C1, C3, i-C4, i-C5

Conditions

Conditions	Yield
nickel at 231.9℃; under 41.5 Torr; for 0.0833333h; Product distribution; Mechanism; hydrogenolysis;	A 1.6% B 1% C 0.031% D n/a

...Expand

: 187737-37-7
propene

A: 106-98-9
1-butylene

B: 74-84-0
ethane

C: 75-28-5
Isobutane

D: 79-29-8
2,3-dimethylbutane

E: 691-37-2
4-Methyl-1-pentene

F: 592-42-7
1,5-Hexadien

Conditions

Conditions	Yield
at -78.1℃; Product distribution; excited by the impact of low-energy electrons;	A 0.92% B 0.12% C 0.92% D 0.43% E 1.12% F 0.24%

...Expand

: 110-54-3
hexane

A: 78-78-4
methylbutane

B: 96-14-0
3-methylpentane

C: 107-83-5
2-Methylpentane

D: 75-83-2
2,2-Dimethylbutane

E: 79-29-8
2,3-dimethylbutane

F: 109-66-0
pentane

Conditions

Conditions	Yield
With hydrogen at 180℃; under 11251.1 Torr; for 0.5h;	A 0.6% B n/a C n/a D n/a E n/a F 0.3%

...Expand

: 75-30-9
2-iodo-propane

: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
With tributylphosphine; copper In tetrahydrofuran at 25℃; for 0.0166667h; further 2-bromopropane, other temperatures; further t-butyl halide without P(n-Bu)3, other temperatures and times;	41 % Chromat.
With diethyl ether; sodium
With tributylphosphine; copper In tetrahydrofuran at 25℃; for 0.0166667h;	41 % Chromat.
With Co(II)-bpy (2,2'-bipyridine); silver nitrate In acetonitrile at 25℃; Kinetics; Further Variations:; Reagents; Electrochemical reaction;

: 617-86-7
triethylsilane

: 2855-08-5
1-chloro-3,3-dimethylbutane

: 79-29-8
2,3-dimethylbutane

: 75-44-5
phosgene

: 60-29-7
diethyl ether

: 3395-70-8
1-((benzyloxy)methyl)-3-chlorobenzene

: 920-39-8
isopropylmagnesium bromide

A: 79-29-8
2,3-dimethylbutane

B: 873-63-2
m-chlorobenzyl alcohol

C: 108-88-3
toluene

D: 100-51-6
benzyl alcohol

...Expand

: 75-97-8
3,3-dimethyl-butan-2-one

: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
With molybdenum (IV) sulfide; xylene at 350℃; Hydrogenation.unter Druck;

: 111496-23-2
LaFe(1+)

: 79-29-8
2,3-dimethylbutane

A: LaFeC6H10(1+)

B: 1333-74-0
hydrogen

Conditions

Conditions	Yield
In gas reaction in a mass spectrometer; total pressure: 4E-6 Torr;	A 100% B 100%

...Expand

: 79-29-8
2,3-dimethylbutane

: 17640-15-2
methyl cyanoformate

A: 26154-43-8
2,2,3-trimethyl-butyronitrile

B: 2-Imino-3,3,4-trimethyl-pentanoic acid methyl ester

Conditions

Conditions	Yield
tris(tetrabutylammonium)12-tungstophosphate In acetonitrile at 16℃; for 22h; Irradiation; Yields of byproduct given;	A n/a B 99%
sodium decatungstate In acetonitrile at 8℃; for 90h; Irradiation;	A 78% B 6%

...Expand

: 79-29-8
2,3-dimethylbutane

: 594-60-5
2,3-dimethylbutan-2-ol

Conditions

Conditions	Yield
With methyltrifluoromethyldioxirane In dichloromethane at -22℃; for 0.05h;	98%
With [PPh4]2[MnV(N)(CN)4]; dihydrogen peroxide; acetic acid In 2,2,2-trifluoroethanol at 23℃; for 5h; Reagent/catalyst; Inert atmosphere;	96%
With [PPh4]2[MnV(N)(CN)4]; tetrabutylammonium periodite; acetic acid In 2,2,2-trifluoroethanol at 23℃; Inert atmosphere;	95%

: 79-29-8
2,3-dimethylbutane

A: 594-57-0
2-chloro-2,3-dimethylbutane

B: 600-06-6
1-chloro-2,3-dimethylbutane

Conditions

Conditions	Yield
With Perbenzoic acid; isocyanate de chlorosulfonyle Product distribution; Mechanism; other radical initiator or photochemically, selectivity of hydrogen abstraction as a function of conversion and temperature;	A 92.3% B 4.6%
bei der Chlorierung;
With 4-tButyl iodobenzenedichloride; 3-(Dichloriodo)benzotrifluorid; (Dichloroiodo)benzene; 3-nitro(dichloroiodo)benzene In tetrachloromethane at 30℃; Product distribution; Competition reaction of reagents with cyclohexane. Relative rate constants.;

: 79-29-8
2,3-dimethylbutane

: 870-50-8
di-tert-butyl-diazodicarboxylate

: N-(1,1,2-trimethylethyl)-N'-(tert-butoxycarbonyl)hydrazinecarboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With methanol; cerium(III) chloride; tetrabutyl-ammonium chloride In acetonitrile at 20℃; for 11h; Irradiation; Inert atmosphere; Sealed tube;	81%

: 79-29-8
2,3-dimethylbutane

: 52843-77-3
phenylethynyl trifluoromethyl sulfone

: (3,3,4-trimethylpent-1-yn-1-yl)benzene

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) for 10h; Heating;	78%

: 79-29-8
2,3-dimethylbutane

: 712-74-3
1,2,4,5-tetracyanobenzene

A: 5-(2,3-dimethyl-2-butyl)-benzene-1,2,4-tricarbonitrile

B: 5-(2,3-dimethyl-1-butyl)-benzene-1,2,4-tricarbonitrile

Conditions

Conditions	Yield
In acetonitrile Quantum yield; Thermodynamic data; Irradiation; ΔG;	A 70% B 7%
In acetonitrile Irradiation;	A 70% B 7%
In acetonitrile Quantum yield; Irradiation; var. solv.;
In acetonitrile for 1h; Irradiation; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 79-29-8
2,3-dimethylbutane

: 210489-89-7
2-Trifluoromethanesulfonylmethyl-acrylic acid methyl ester

: 4,4,5-Trimethyl-2-methylene-hexanoic acid methyl ester

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) for 14h; Heating;	70%

: 79-29-8
2,3-dimethylbutane

: C19H16F3N2O2S(1+)*BF4(1-)

: 4-(2,3-dimethylbutan-2-yl)-2-phenylpyridine

Conditions

Conditions	Yield
With 9,10-phenanthrenequinone In acetonitrile at 20℃; for 48h; UV-irradiation; Inert atmosphere; regioselective reaction;	70%

: 79-29-8
2,3-dimethylbutane

: 22979-35-7
Methyl phenyldiazoacetate

: 1115295-83-4
C15H22O2

Conditions

Conditions	Yield
With {HB[3,5-(CF3)2Pz]3}Ag(THF) at 20℃; chemoselective reaction;	69%

: 79-29-8
2,3-dimethylbutane

: 119987-21-2
(E)-methyl 2-diazo-4-phenylbut-3-enoate

: 1130233-05-4
C17H24O2

Conditions

Conditions	Yield
With {HB[3,5-(CF3)2Pz]3}Ag(THF) at 20℃; chemoselective reaction;	66%

: 79-29-8
2,3-dimethylbutane

A: 72221-03-5
2,3-dimethyl-1,2-epoxybutane

B: 594-60-5
2,3-dimethylbutan-2-ol

C sec. and prim. alcohols, ketones: sec. and prim. alcohols, ketones

Conditions

Conditions	Yield
With O(3P) at -80℃; Product distribution;	A 34% B 64% C n/a

...Expand

: 79-29-8
2,3-dimethylbutane

: 1048692-95-0
2-azido-4,4,4,5-tetramethyl-1,3,2-dioxaborolane

A: 1048692-99-4
(HO)2BNH-cy5

B: C2(CH3)4O2BNHCH2CHCH3CH(CH3)2

C: C2(CH3)4O2BNHCH2CH(CH3)CH(CH3)2

Conditions

Conditions	Yield
In further solvent(s) byproducts: N2; Irradiation (UV/VIS); photolysis in quartz tube for 16 h (λ = 254 nm), 2,3-dimethylbutane-soln. of azide, room temp., Ar atm.; filtered, the solvent was removed under reduced pressure, sublimation (70°C, oil pump);	A n/a B 11% C 63%

...Expand

: 79-29-8
2,3-dimethylbutane

: 2700-22-3
Benzylidenemalononitrile

: 2-(2,2,3-trimethyl-1-phenylbutyl)malononitrile

Conditions

Conditions	Yield
With 9-(2-mesityl)-10-methylacridinium perchlorate; 1,2-dibromomethane at 50℃; for 24h; Irradiation;	63%

: 79-29-8
2,3-dimethylbutane

: 92-66-0
4-bromo-1,1'-biphenyl

: 292638-85-8
acrylic acid methyl ester

: methyl 2-([1,1'-biphenyl]-4-yl)-4,4,5-trimethylhexanoate

Conditions

Conditions	Yield
With potassium phosphate; tetrakis(tetrabutylammonium)decatungstate(VI); [nickel(II) (4,4'-di-tert-butyl-2,2'-bipyridine)(bromide)2] In acetone at 30℃; for 18h; Inert atmosphere; Sealed tube; Irradiation; regioselective reaction;	62%

...Expand

: 80146-01-6
pentamethylcyclopentadienyliridium(III) PMe3 dihydride

: 79-29-8
2,3-dimethylbutane

: (C5(CH3)5)Ir(P(CH3)3)(C6H13)H

Conditions

Conditions	Yield
In further solvent(s) Irradiation (UV/VIS); soln. of complex in 2,3-dimethylbutane was irradiated for 36 h, then heated at 115°C for 21 h (inert atm.); cold chromy.(-80°C) on alumina III column, Et2O-hexane; elem. anal.;	60%

: 623-73-4
diazoacetic acid ethyl ester

: 79-29-8
2,3-dimethylbutane

: 80246-74-8
ethyl 3,3,4-trimethylpentanoate

Conditions

Conditions	Yield
perbromohomoscorpionate copper(I) catalyst In dichloromethane for 3h;	56%

: 67-56-1
methanol

: 79-29-8
2,3-dimethylbutane

: 464-06-2
triptane

Conditions

Conditions	Yield
With adamantane; indium (III) iodide at 180℃; for 0.5h; Product distribution / selectivity;	56%
indium (III) iodide at 180℃; for 0.5h; Product distribution / selectivity;	31%
zinc(II) iodide at 200℃; for 2h; Product distribution / selectivity;	17%
With indium (III) iodide at 180℃; for 0.5h;
indium (III) iodide at 150 - 200℃; for 0.25 - 2h; Product distribution / selectivity;	0.5%

: 957188-75-9
[N-(trifluoromethylsulfonyl)imino][4-(trifluoromethyl)phenyl]-λ3-bromane

: 79-29-8
2,3-dimethylbutane

: 1361955-88-5
C7H14F3NO2S

Conditions

Conditions	Yield
With 1,1,1,3',3',3'-hexafluoro-propanol at 20℃; Inert atmosphere; Neat (no solvent); regioselective reaction;	55%

: 491-38-3
1-benzopyran-4(4H)-one

: 79-29-8
2,3-dimethylbutane

: 2-(2,3-dimethylbutyl)chroman-4-one

Conditions

Conditions	Yield
With di-tert-butyl peroxide at 120℃; for 24h; Sealed tube;	53%

: 79-29-8
2,3-dimethylbutane

: 10349-38-9
p-methoxyphenylisocyanide

: 58265-35-3
2,2,3-trimethyl-butyric acid anilide

Conditions

Conditions	Yield
With ferrocene; di-tert-butyl peroxide In 1,2-dichloro-ethane at 80℃; for 12h; Sealed tube; Green chemistry;	52%

: 79-29-8
2,3-dimethylbutane

A: 354-96-1
perfluoro(2,3-dimethylbutane)

B: 355-04-4
perfluoroisohexane

C: 865-71-4
perfluoro(3-methylpentane)

D: 1805-22-7
perfluoro(2-methylcyclopentane)

E: 112156-74-8
perfluoro(2,2-dimethylbutane)

Conditions

Conditions	Yield
cobalt (III) fluoride at 360℃; for 3h; Product distribution;	A 5% B 21% C 7% D 17% E 50%

...Expand

: 79-29-8
2,3-dimethylbutane

A: 354-96-1
perfluoro(2,3-dimethylbutane)

B: 355-04-4
perfluoroisohexane

C: 1805-22-7
perfluoro(2-methylcyclopentane)

D: 112156-74-8
perfluoro(2,2-dimethylbutane)

Conditions

Conditions	Yield
cobalt (III) fluoride at 360℃; for 3h; Further byproducts given;	A 5% B 21% C 17% D 50%

...Expand

: 79-29-8
2,3-dimethylbutane

A: 355-04-4
perfluoroisohexane

B: 865-71-4
perfluoro(3-methylpentane)

C: 1805-22-7
perfluoro(2-methylcyclopentane)

D: 112156-74-8
perfluoro(2,2-dimethylbutane)

Conditions

Conditions	Yield
cobalt (III) fluoride at 360℃; for 3h; Further byproducts given;	A 21% B 7% C 17% D 50%

...Expand

: 79-29-8
2,3-dimethylbutane

: 119353-21-8
1-octynyl trifluoromethyl sulfone

: 2,3,3-Trimethyl-undec-4-yne

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) for 24h; Heating;	49%

2,3-Dimethylbutane Chemical Properties

Molecular Structure of 2,3-Dimethylbutane (CAS NO.79-29-8):

EINECS: 201-193-6
IUPAC Name: 2,3-Dimethylbutane
Molecular Formula: C₆H₁₄
Molecular Weight: 86.175360 g/mol
XLogP3: 3.4
H-Bond Donor: 0
H-Bond Acceptor: 0
Canonical SMILES: CC(C)C(C)C
InChI: InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
InChIKey: ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
Index of Refraction: 1.38
Molar Refractivity: 29.76 cm³
Molar Volume: 128.3 cm³
Surface Tension: 18.3 dyne/cm
Density: 0.671 g/cm³
Enthalpy of Vaporization: 27.38 kJ/mol
Boiling Point: 58.7 °C at 760 mmHg
Vapour Pressure: 220 mmHg at 25 °C
Melting Point: -129 °C
Water Solubility: 44.29 mg/L at 25 °C
Refractive Index: n20/D 1.375(lit.)
Storage Temp.: Flammables area
BRN: 1730737

2,3-Dimethylbutane Consensus Reports

Reported in EPA TSCA Inventory.

2,3-Dimethylbutane Safety Profile

Safety Information of 2,3-Dimethylbutane (CAS NO.79-29-8):
Hazard Codes: F ,Xn Harmful
Risk Statements: 11-65
R11:Highly flammable
R65:Harmful: may cause lung damage if swallowed
Safety Statements: 16-23-33-62
S16:Keep away from sources of ignition
S23:Do not breathe vapour
S33:Take precautionary measures against static discharges
S62:If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label
RIDADR: UN 2457 3/PG 2
WGK Germany: 3
RTECS: EJ9350000
HazardClass: 3
PackingGroup: II
Probably an irritant and narcotic in high concentration. A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. Keep away from heat and open flame. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.

2,3-Dimethylbutane Standards and Recommendations

OSHA PEL: TWA 500 ppm; STEL 1000 ppm
ACGIH TLV: TWA 500 ppm; STEL 1000 ppm
DFG MAK: 200 ppm (720 mg/m³)
NIOSH REL: TWA (Alkanes) 350 mg/m³
DOT Classification: 3; Label: Flammable Liquid

2,3-Dimethylbutane Specification

2,3-Dimethylbutane is a colourless liquid with CAS Registry Number of 79-29-8. It is an isomer of hexane, also known as 1,1,2,2-Tetramethylethane ; Biisopropyl ; Butane, 2,3-dimethyl- ; CCRIS 6020 ; Diisopropyl ; HSDB 76 ; NSC 24837 ; 2,3-Dimethylbutane [UN2457] [Flammable liquid] ; UN2457 . It is incompatible with strong oxidizing agents. When heated to decomposition, it yields Carbon monoxide , Carbon dioxide . 2,3-Dimethylbutane is used as gas chromatography standard.

Product Name

2,3-Dimethylbutane

Synthetic route

2,3-Dimethylbutane Chemical Properties

2,3-Dimethylbutane Consensus Reports

2,3-Dimethylbutane Safety Profile

2,3-Dimethylbutane Standards and Recommendations

2,3-Dimethylbutane Specification

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