2,3-Dimethyl-2,3-dinitrobutane supplier

Name
2,3-DIMETHYL-2,3-DINITROBUTANE
EINECS 223-569-9
CAS No. 3964-18-9
Article Data108
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point 214-215 °C (dec.)(lit.)
Formula C₆H₁₂N₂O₄
Boiling Point 219.8 °C at 760 mmHg
Molecular Weight 176.172
Flash Point 80.2 °C
Transport Information UN 2811 6.1/PG 2
Appearance white to off-white crystal or crystalline powder
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 2,3-Dinitro-2,3-dimethylbutane;NSC 1156;
PSA 91.64000
LogP 2.14340

Synthetic route

: 18995-13-6
Diethyl ethylsodiomalonate

: 74974-44-0
2-nitro-2-thiocyanatopropane

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 42798-10-7
2,3-bis(ethoxycarbonyl)-2,3-diethylsuccinic acid diethyl ester

Conditions

Conditions	Yield
In dimethyl sulfoxide for 5h; Photolysis;	A 95% B 53%

...Expand

: 3958-63-2
lithium 2-nitropropane

: 1483-73-4
diphenyliodonium bromide

A: 50-00-0
formaldehyd

B: 591-50-4
iodobenzene

C: 92-52-4
biphenyl

D: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

E: 3457-58-7
2-nitro-2-phenylpropane

F: 71-43-2
benzene

Conditions

Conditions	Yield
In methanol at 30℃; for 48h; Mechanism; Product distribution; other diaryliodonium bromides, other times, effect of light and oxygen;	A 38% B 94% C 5% D 5% E 41% F 43%

...Expand

: 14384-47-5
2,3-Dihydro-2,2,3,3,5,6-hexamethylpyrazine-1,4-dioxide

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 431-03-8
dimethylglyoxal

Conditions

Conditions	Yield
With ozone In chloroform-d1 at -78℃; for 0.25h;	A 93% B n/a

: 66463-89-6
1-methyl-1-nitroethyl p-nitrophenyl sulphide

: 2-nitropropane sodium salt

: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 5h; Irradiation;	92%
In N,N-dimethyl-formamide for 4h; Product distribution; Irradiation; dark, reaction in the presence of free-radical scavengers; reaction with other α-nitrosulphides;	71 % Chromat.

: 79-46-9
2-nitropropane

: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

Conditions

Conditions	Yield
Stage #1: 2-nitropropane With sodium hydroxide for 0.5h; Cooling with ice; Stage #2: With bromine In ethanol at 90℃; for 2.5h; Cooling with ice;	91.2%
With bromine; sodium hydroxide In ethanol at 84℃; for 3h;	83%
Stage #1: 2-nitropropane With bromine; sodium hydroxide In water Cooling with ice; Stage #2: In ethanol; water at 90℃; for 3h;	81%

: 5447-97-2
2-bromo-2-nitropropane

: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

Conditions

Conditions	Yield
With sodium tert-butyl thiolate In N,N-dimethyl-formamide at 25℃; Irradiation;	90%
With 2-mercaptopyridine-1-oxide sodium salt In methanol for 21h;	32%
With sodium tert-butyl thiolate In N,N-dimethyl-formamide Product distribution; Irradiation; Products distribution at various temperatures;

: 3958-63-2
lithium 2-nitropropane

: 1483-73-4
diphenyliodonium bromide

A: 591-50-4
iodobenzene

B: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

C: 3457-58-7
2-nitro-2-phenylpropane

D: 71-43-2
benzene

Conditions

Conditions	Yield
With isopropenylbenzene In methanol at 30℃; for 48h; Further byproducts given;	A 88% B 2% C 67% D 8%

...Expand

: 2-nitropropane sodium salt

: 15718-46-4
2,2'-dipyrimidyl disulfide

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 95106-83-5
1-methyl-1-nitroethylpyrimidin-2-yl sulphide

Conditions

Conditions	Yield
With oxygen In N,N-dimethyl-formamide for 8h;	A 7% B 86%

...Expand

: 5275-46-7
2-nitro-2-nitrosopropane

A: 595-49-3
2,2-dinitropropane

B: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

C: 67-64-1
acetone

D: 2-Nitro-2-nitrosooxy-propane

Conditions

Conditions	Yield
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 31℃;	A n/a B n/a C 83% D 17%

...Expand

: 79-46-9
2-nitropropane

: 1220564-53-3
6-nitro-N-propyl-2-trichloromethylquinazolin-4-amine

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 1220564-57-7
2-(1-chloro-2-methylprop-1-enyl)-6-nitro-N-propylquinazolin-4-amine

Conditions

Conditions	Yield
Stage #1: 2-nitropropane With tetra(n-butyl)ammonium hydroxide In dichloromethane; water at 20℃; for 0.5h; Inert atmosphere; Stage #2: 6-nitro-N-propyl-2-trichloromethylquinazolin-4-amine In dichloromethane; water at 20℃; for 4h; UV-irradiation; Inert atmosphere;	A n/a B 83%

...Expand

: 3240-34-4
[bis(acetoxy)iodo]benzene

: 1428264-89-4
2-isocyano-5-methyl-1,1'-biphenyl

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 1402547-38-9
2,6-dimethylphenanthridine

Conditions

Conditions	Yield
With 2-nitropropane; 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; for 2h; Reagent/catalyst; Solvent; Inert atmosphere; Green chemistry;	A 51% B 82%

...Expand

: 3958-63-2
lithium 2-nitropropane

: 30007-47-7
bronidox

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 91173-72-7
5-nitro-5-(2-nitro-1-methylethyl)-1,3-dioxane

C: 86251-74-3
5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane

D LiBr: LiBr

Conditions

Conditions	Yield
In dimethyl sulfoxide at 20℃; for 3h;	A n/a B 80% C 15% D n/a
In dimethyl sulfoxide at 20℃; for 3h; Yields of byproduct given;	A 40% B n/a C n/a D n/a

...Expand

: 66463-89-6
1-methyl-1-nitroethyl p-nitrophenyl sulphide

: nitrocyclohexane sodium salt

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 1636-28-8
1-(1-methyl-1-nitroethyl)-1-nitrocyclohexane

Conditions

Conditions	Yield
In dimethyl sulfoxide for 4h; Irradiation;	A 14% B 76%

...Expand

: 20846-00-8
2-nitro-propan-2-ide

: 74974-44-0
2-nitro-2-thiocyanatopropane

: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

Conditions

Conditions	Yield
In dimethyl sulfoxide for 2h; Irradiation;	72%
Mechanism; Irradiation; reactions with further anions in various conditions;

: 20846-00-8
2-nitro-propan-2-ide

: 1-(dichloromethyl)-5-nitroisoquinoline

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 1-(2-methyl-1-propenyl)-5-nitroisoquinoline

C: 1-(1-Chloro-2-methyl-propenyl)-5-nitro-isoquinoline

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 24h; Irradiation;	A n/a B 72% C n/a
In dichloromethane; water for 24h; Product distribution; Irradiation; with different scavengers and solvent;	A n/a B 38% C 30%
In dichloromethane; water for 24h; Irradiation;	A n/a B 38% C 30%

...Expand

: 24163-39-1
sodium 2-nitropropane

: 74974-44-0
2-nitro-2-thiocyanatopropane

: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

Conditions

Conditions	Yield
In dimethyl sulfoxide for 2h; Photolysis;	72%

: 3958-63-2
lithium 2-nitropropane

: 2,4-dibromo-2,4-dinitropentane

A: 5447-97-2
2-bromo-2-nitropropane

B: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

C: trans-1,2-dimethyl-1,2-dinitrocyclopropane

Conditions

Conditions	Yield
In dimethyl sulfoxide at 18 - 20℃; for 0.00833333h;	A 5% B 70% C 25%
With m-DNB In dimethyl sulfoxide at 18 - 20℃; for 0.00833333h;	A 25% B 5% C 20%

...Expand

: 595-49-3
2,2-dinitropropane

: 18803-44-6
sodium p-chlorothiophenolate

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 52755-34-7
1-methyl-1-nitroethyl p-chlorophenyl sulphide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 18h; Photolysis;	A n/a B 69%

...Expand

: 630-51-3
tetramethyl succinic acid

: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

Conditions

Conditions	Yield
With nitronium tetrafluoborate; silver carbonate In N,N-dimethyl acetamide at 90℃; for 12h; Inert atmosphere; Schlenk technique; regioselective reaction;	69%

: 41658-69-9
2-bromo-2-methyl-propionitrile

: 79-46-9
2-nitropropane

A: 29770-62-5
α,α-dimethyl-β-nitroisovaleronitrile

B: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

Conditions

Conditions	Yield
With potassium tert-butylate In N,N,N,N,N,N-hexamethylphosphoric triamide	A 68% B n/a

...Expand

: 98591-28-7
6-nitro-2-trichloromethylquinazolin-4(3H)-one

: 147225-22-7
2-lithio-2-nitropropane

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 1220564-78-2
2-(1-chloro-2-methylprop-1-enyl)-6-nitroquinazolin-4(3H)-one

Conditions

Conditions	Yield
In dimethyl sulfoxide at 20℃; for 2h; UV-irradiation; Inert atmosphere;	A n/a B 67%

...Expand

: 5447-97-2
2-bromo-2-nitropropane

: 36954-04-8
4(5)-nitroimidazole anion

A: 595-49-3
2,2-dinitropropane

B: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

C: 117836-30-3
1-(1-methyl-1-nitroethyl)-4-nitroimidazole

Conditions

Conditions	Yield
With sodium persulfate; potassium hexacyanoferrate(III) for 1h;	A n/a B 20% C 63%

...Expand

: 3958-63-2
lithium 2-nitropropane

: 96246-33-2
2-chloro-2-nitrohept-6-ene

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 96246-38-7
2,3-dimethyl-2,3-dinitro-7-octene

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 48h; Irradiation;	A 12% B 63%

...Expand

: 20846-00-8
2-nitro-propan-2-ide

: 74974-48-4
1-nitro-1-thiocyanatocyclohexane

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 1636-28-8
1-(1-methyl-1-nitroethyl)-1-nitrocyclohexane

Conditions

Conditions	Yield
In dimethyl sulfoxide for 4h; Irradiation;	A 16% B 61%

...Expand

: 66463-89-6
1-methyl-1-nitroethyl p-nitrophenyl sulphide

: 18995-13-6
diethyl ethylmalonate sodium salt

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 75376-77-1
diethyl 2-(1-nitro-1-methylethyl)-2-ethylmalonate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 4h; Irradiation;	A 61% B 21%

...Expand

: 24163-39-1
sodium 2-nitropropane

: 74974-48-4
1-nitro-1-thiocyanatocyclohexane

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 1636-28-8
1-(1-methyl-1-nitroethyl)-1-nitrocyclohexane

Conditions

Conditions	Yield
In dimethyl sulfoxide for 5h; Photolysis;	A 30% B 60%

...Expand

: 41774-06-5
α-nitroisopropyl phenyl sulfone

: 18803-44-6
sodium p-chlorothiophenolate

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 52755-34-7
1-methyl-1-nitroethyl p-chlorophenyl sulphide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 4h; Photolysis;	A n/a B 59%

...Expand

: 120-78-5
di(benzothiazol-2-yl)disulfide

: 2-nitropropane sodium salt

A: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

B: 75376-74-8
1,3-benzothiazol-2-yl 1-methyl-1-nitroethyl sulphide

Conditions

Conditions	Yield
With oxygen In N,N-dimethyl-formamide for 8h;	A 11% B 58%

...Expand

: 5275-46-7
2-nitro-2-nitrosopropane

: 383-73-3
bis(trifluoroacetyl)peroxide

A: 595-49-3
2,2-dinitropropane

B: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

C: 67-64-1
acetone

D: 2-Nitro-2-nitrosooxy-propane

E: 1,1,1-Trifluoro-2-methyl-2-nitro-propane

Conditions

Conditions	Yield
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 31℃; Rate constant; Mechanism; Product distribution; var. ratio diacyl peroxide;	A 55% B n/a C 30% D 7% E 8%

...Expand

: 3958-63-2
lithium 2-nitropropane

: 2665-60-3
(p-methylphenyl)phenyliodonium bromide

A: 50-00-0
formaldehyd

B: 591-50-4
iodobenzene

C: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

D: 624-31-7
4-tolyl iodide

Conditions

Conditions	Yield
In methanol at 30℃; for 48h; Further byproducts given;	A 37% B 44% C 6% D 54%

...Expand

: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

: 20485-44-3
2,3-dimethyl-2,3-diaminobutane

Conditions

Conditions	Yield
With hydrogenchloride; tin for 3h; Heating;	81%
With hydrogenchloride; tin	75%
With hydrogenchloride; tin In water at 105℃; for 4h;	60%

: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

: 14384-45-3
N,N'-dihydroxy-2,3-dimethylbutane-2,3-diamine

Conditions

Conditions	Yield
With aluminum amalgam In tetrahydrofuran; water at -7 - -2℃; for 0.75h;	79%
With aluminum amalgam In tetrahydrofuran; water at 0℃; for 0.333333h;	76%
With ammonium chloride; zinc In tetrahydrofuran at 4 - 6℃; for 16.5h;	68%

: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

: 75804-28-3
2,3-diamino-2,3-dimethylbutane bishydrochloride

Conditions

Conditions	Yield
Stage #1: 2,3-dimethyl-2,3-dinitrobutane With hydrogenchloride; tin In water at 50℃; for 2h; Reflux; Stage #2: With potassium hydroxide In water	61%
Stage #1: 2,3-dimethyl-2,3-dinitrobutane With hydrogenchloride; tin In water at 50℃; for 2.16667h; Reflux; Stage #2: With potassium hydroxide In water Stage #3: With hydrogenchloride In water pH=2;	61%

2,3-Dimethyl-2,3-dinitrobutane Specification

The CAS register number of Butane,2,3-dimethyl-2,3-dinitro- is 3964-18-9. The IUPAC name about this chemical is 2,3-dimethyl-2,3-dinitrobutane. The molecular formula about this chemical is C₆H₁₂N₂O₄ and the molecular weight is 176.17. It belongs to the following product categories which include Nitro Compounds; Nitrogen Compounds; Organic Building Blocks and so on.

Physical properties about Butane,2,3-dimethyl-2,3-dinitro- are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.82 ; (4)#H bond acceptors: 6; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 91.64Å²; (7)Index of Refraction: 1.458; (8)Molar Refractivity: 41.82 cm³; (9)Molar Volume: 153.2 cm³; (10)Polarizability: 16.57x10^-24cm³; (11)Surface Tension: 37 dyne/cm; (12)Flash Point: 80.2 °C; (13)Enthalpy of Vaporization: 45.63 kJ/mol; (14)Boiling Point: 219.8 °C at 760 mmHg; (15)Vapour Pressure: 0.117 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-nitro-propane. This reaction will need reagent air aand NaOH-solution.

Uses of Butane,2,3-dimethyl-2,3-dinitro-: it can be used to produce 1,1,2,2-tetramethyl-ethanediyldiamine. This reaction will need reagent tin and hydrochloric acid.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. 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: CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-]
(2)InChI: InChI=1/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3
(3)InChIKey: DWCLXOREGBLXTD-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3
(5)Std. InChIKey: DWCLXOREGBLXTD-UHFFFAOYSA-N

Product Name

2,3-DIMETHYL-2,3-DINITROBUTANE

Synthetic route

2,3-Dimethyl-2,3-dinitrobutane Specification

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