Propanedinitrile,2,2-dimethyl- supplier

Name
DIMETHYLMALONONITRILE
EINECS
CAS No. 7321-55-3
Article Data11
CAS DataBase
Density 0.961 g/cm³
Solubility
Melting Point 31-33 °C(lit.)
Formula C₅H₆N₂
Boiling Point 169.5 °C at 760 mmHg
Molecular Weight 94.116
Flash Point 77.8 °C
Transport Information
Appearance
Safety 16-26-36/37/39-45
Risk Codes 11-23/24/25-36/37/38
Molecular Structure
Hazard Symbols F; T
Synonyms Malononitrile,dimethyl- (6CI,7CI,8CI);Propanedinitrile, dimethyl- (9CI);2,2-Dicyanopropane;Dimethylmalononitrile;Dimethylpropanedinitrile;NSC 86109;2,2-Dicyanopropane;Dimethylmalononitrile;Malononitrile, dimethyl-;propanedinitrile, 2,2-dimethyl-;
PSA 47.58000
LogP 1.05976

Synthetic route

: 109-77-3
malononitrile

: 74-88-4
methyl iodide

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
With potassium tert-butylate; tetrabutylammomium bromide for 2h; Ambient temperature;	76%
With potassium carbonate In acetonitrile at 20℃; for 16h; Inert atmosphere;	52%
at 100℃; aus Natriummalonnitril;
With sodium hydride In dimethyl sulfoxide

: 74-83-9
methyl bromide

: 109-77-3
malononitrile

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
Stage #1: malononitrile With lithium hydroxide In tetrahydrofuran at 5 - 20℃; for 3h; Autoclave; Stage #2: methyl bromide In tetrahydrofuran at 0 - 20℃; for 8h; Autoclave;	46.5%

: 7505-93-3
2-cyano-2-methylpropanamide

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
With phosphorus pentaoxide at 170℃;

: 5362-78-7
dimethylsulfonium dicyanomethylide

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
With triphenylphosphine

: 109-77-3
malononitrile

: 74-88-4
methyl iodide

A: 7321-55-3
2,2-dimethylmalononitrile

B methylisonitrile: methylisonitrile

Conditions

Conditions	Yield
at -10℃; aus Silbermalonnitril nach Beendigung der ersten heftigen Reaktion bei 50grad;

...Expand

: 74-88-4
methyl iodide

disilver-salt of malonic acid dinitrile: disilver-salt of malonic acid dinitrile

: 7321-55-3
2,2-dimethylmalononitrile

: 74-88-4
methyl iodide

disodium-salt of malonic acid dinitrile: disodium-salt of malonic acid dinitrile

: 7321-55-3
2,2-dimethylmalononitrile

: 19295-57-9
3-hydroxy-2,2-dimethylpropionitrile

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: oxalyl dichloride / dimethyl sulfoxide; dichloromethane / 0.42 h / -78 °C 1.2: -78 - 25 °C 2.1: methanol; water; hydrogenchloride / 1 h / 55 °C 3.1: tetrabutyl ammonium fluoride / dimethyl sulfoxide / 0.25 h / 25 °C View Scheme

: 19295-56-8
2,2-dimethyl-3-oxopropanenitrile

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: methanol; water; hydrogenchloride / 1 h / 55 °C 2: tetrabutyl ammonium fluoride / dimethyl sulfoxide / 0.25 h / 25 °C View Scheme

: 1401327-14-7
2’-O-(2-cyano-2,2-dimethylethanimine-N-oxymethyl)uridine

A: 50-00-0
formaldehyd

B: 7321-55-3
2,2-dimethylmalononitrile

C: 58-96-8
uridine

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In dimethyl sulfoxide at 25℃; for 0.25h;

...Expand

: 597-31-9
2,2-dimethyl-3-hydroxypropionaldehyde

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: potassium carbonate; water; hydroxylamine hydrochloride / ethanol / 48 h / 70 °C / Cooling with ice 2.1: trifluoroacetic anhydride / -15 °C / Reflux 3.1: methanol / 16 h / 25 °C 4.1: oxalyl dichloride / dimethyl sulfoxide; dichloromethane / 0.42 h / -78 °C 4.2: -78 - 25 °C 5.1: methanol; water; hydrogenchloride / 1 h / 55 °C 6.1: tetrabutyl ammonium fluoride / dimethyl sulfoxide / 0.25 h / 25 °C View Scheme

Yield

Multi-step reaction with 6 steps
1.1: potassium carbonate; water; hydroxylamine hydrochloride / ethanol / 48 h / 70 °C / Cooling with ice
2.1: trifluoroacetic anhydride / -15 °C / Reflux
3.1: methanol / 16 h / 25 °C
4.1: oxalyl dichloride / dimethyl sulfoxide; dichloromethane / 0.42 h / -78 °C
4.2: -78 - 25 °C
5.1: methanol; water; hydrogenchloride / 1 h / 55 °C
6.1: tetrabutyl ammonium fluoride / dimethyl sulfoxide / 0.25 h / 25 °C
View Scheme

: 36559-87-2
3-hydroxy-2,2-dimethylpropionaldoxime

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: trifluoroacetic anhydride / -15 °C / Reflux 2.1: methanol / 16 h / 25 °C 3.1: oxalyl dichloride / dimethyl sulfoxide; dichloromethane / 0.42 h / -78 °C 3.2: -78 - 25 °C 4.1: methanol; water; hydrogenchloride / 1 h / 55 °C 5.1: tetrabutyl ammonium fluoride / dimethyl sulfoxide / 0.25 h / 25 °C View Scheme

: C7H8F3NO2

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: methanol / 16 h / 25 °C 2.1: oxalyl dichloride / dimethyl sulfoxide; dichloromethane / 0.42 h / -78 °C 2.2: -78 - 25 °C 3.1: methanol; water; hydrogenchloride / 1 h / 55 °C 4.1: tetrabutyl ammonium fluoride / dimethyl sulfoxide / 0.25 h / 25 °C View Scheme

: 24423-87-8
3,4-dihydro-isoquinoline 2-oxide

: 7321-55-3
2,2-dimethylmalononitrile

: 121994-34-1
2-(5,9b-Dihydro-4H-3-oxa-1,3a-diaza-cyclopenta[a]naphthalen-2-yl)-2-methyl-propionitrile

Conditions

Conditions	Yield
In toluene at 100℃; for 1h;	100%
In toluene at 100℃; Rate constant; two other solvents;

: 7321-55-3
2,2-dimethylmalononitrile

: 106544-20-1
2-oxo-3-(ethoxycarbonyl)-3,4-dihydro-β-carboline

: 106544-23-4
2-(1-cyano-1-methylethyl)-5-(ethoxycarbonyl)-4,5,6,11b-tetrahydro-Δ4-1,2,4-oxadiazolino<3,2-a>-β-carboline

Conditions

Conditions	Yield
In toluene at 80℃; for 1h;	100%
In toluene at 80℃; for 1.5h;	99%
In 2-methoxy-ethanol at 100℃; Rate constant;

: 7321-55-3
2,2-dimethylmalononitrile

: 3182-95-4
L-Phenylalaninol

: 176706-98-2
(4S,4S')-(-)-2,2'-(1-methylethylidene)bis[4,5-dihydro-4-(phenylmethyl)oxazole]

Conditions

Conditions	Yield
With zinc trifluoromethanesulfonate In toluene for 48h; Heating;	100%
With zinc(II) chloride In chlorobenzene for 24h; Inert atmosphere; Reflux;	75%
With zinc(II) chloride In chlorobenzene for 72h; Reflux;	24%

: 7321-55-3
2,2-dimethylmalononitrile

: 136030-00-7
(1R,2S)-1-Amino-2-indanol

: (3aR,3a'R,8aS,8a'S)-2,2'-(propane-2,2-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole)

Conditions

Conditions	Yield
With zinc trifluoromethanesulfonate In toluene for 48h; Heating;	100%
Stage #1: 2,2-dimethylmalononitrile With zinc trifluoromethanesulfonate In toluene for 0.0833333h; Inert atmosphere; Stage #2: (1R,2S)-1-Amino-2-indanol In toluene for 24h; Reflux; Inert atmosphere;	71%

: 7321-55-3
2,2-dimethylmalononitrile

: 5720-07-0
4-methoxyphenylboronic acid

: 118362-74-6
3-(4-methoxyphenyl)-2,2-dimethyl-3-oxopropanenitrile

Conditions

Conditions	Yield
Stage #1: 2,2-dimethylmalononitrile; 4-methoxyphenylboronic acid With [Rh(OH)(cod)]2; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In 1,4-dioxane at 80℃; for 6h; Inert atmosphere; Stage #2: With hydrogenchloride; water In 1,4-dioxane; tert-butyl methyl ether Inert atmosphere;	99%
With 4,4'-dimethyl-2,2'-bipyridines; palladium(II) acetylacetonate; toluene-4-sulfonic acid In water; toluene at 80℃; for 24h; Schlenk technique;	75%

: 7321-55-3
2,2-dimethylmalononitrile

: 100-39-0
benzyl bromide

: 140-29-4
phenylacetonitrile

: 861356-28-7
2-benzyl-2-phenylmalononitrile

Conditions

Conditions	Yield
Stage #1: phenylacetonitrile With methylmagnesium bromide; lithium chloride In tetrahydrofuran; diethyl ether at 20℃; for 0.5h; Inert atmosphere; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran; diethyl ether at 80℃; for 6h; Inert atmosphere; Stage #3: benzyl bromide In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide at 80℃; for 16h; Inert atmosphere;	99%

...Expand

: 110-59-8
pentanonitrile

: 7321-55-3
2,2-dimethylmalononitrile

: 100-39-0
benzyl bromide

: 2-benzyl-2-propylmalononitrile

Conditions

Conditions	Yield
Stage #1: pentanonitrile With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran; hexane at 20 - 80℃; for 6h; Inert atmosphere; Stage #3: benzyl bromide In tetrahydrofuran; hexane; N,N-dimethyl-formamide at 80℃; for 16h; Inert atmosphere;	98%

...Expand

: 7321-55-3
2,2-dimethylmalononitrile

: 5720-07-0
4-methoxyphenylboronic acid

: 874-90-8
4-methoxybenzonitrile

Conditions

Conditions	Yield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; caesium carbonate In 1,4-dioxane at 100℃; for 6h; Inert atmosphere;	97%

: 943599-11-9
(2S)-2-amino-3-(diphenylphosphoryl)-propan-1-ol

: 7321-55-3
2,2-dimethylmalononitrile

: 2,2-bis[(4S)-4-(diphenylphosphinoyl)methyl-1,3-oxazolin-2-yl]propane

Conditions

Conditions	Yield
Stage #1: (2S)-2-amino-3-(diphenylphosphoryl)-propan-1-ol; 2,2-dimethylmalononitrile With zinc(II) chloride In chlorobenzene for 24h; Heating; Stage #2: With ethylenediamine In water; chlorobenzene for 1h; Further stages.;	96%

: 7321-55-3
2,2-dimethylmalononitrile

: 2633-66-1
2-mesitylmagnesium bromide

: 2571-52-0
cyanomesitylene

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 23℃; for 0.5h;	96%

: 7321-55-3
2,2-dimethylmalononitrile

: 52287-51-1
6-bromo-1,4-benzodioxane

: 19102-07-9
2,3-dihydrobenzo[b][1,4]dioxine-6-carbonitrile

Conditions

Conditions	Yield
Stage #1: 6-bromo-1,4-benzodioxane With magnesium; lithium chloride In tetrahydrofuran at 23℃; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran at 0 - 23℃; for 0.5h;	96%

: 7321-55-3
2,2-dimethylmalononitrile

: 63104-44-9
dimethyl 2,2-di(prop-2-ynyl)malonate

: 3-(cyanodimethylmethyl)-5,7-dihydro-[2]pyrindine-6,6-dicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
With tetraethylammonium chloride; tris(acetonitrile)pentamethylcyclopentadienylruthenium(II) hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 0.16h;	95%

: 7321-55-3
2,2-dimethylmalononitrile

: 98-80-6
phenylboronic acid

: 7391-73-3
2,2-dimethyl-3-oxo-3-phenylpropanenitrile

Conditions

Conditions	Yield
Stage #1: 2,2-dimethylmalononitrile; phenylboronic acid With [Rh(OH)(cod)]2; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In 1,4-dioxane at 80℃; for 4h; Inert atmosphere; Stage #2: With hydrogenchloride; water In 1,4-dioxane; tert-butyl methyl ether Reagent/catalyst; Inert atmosphere;	95%
With 4,4'-dimethyl-2,2'-bipyridines; palladium(II) acetylacetonate; toluene-4-sulfonic acid In water; toluene at 80℃; for 24h; Schlenk technique;	95%
With 4,4'-dimethyl-2,2'-bipyridines; water; palladium(II) acetylacetonate; benzenesulfonic acid In toluene at 80℃; for 24h;	84%
With bis(norbornadiene)rhodium(l)tetrafluoroborate; potassium carbonate In 1,4-dioxane at 80℃; for 24h; Reagent/catalyst; Inert atmosphere;	45 %Chromat.

: 7321-55-3
2,2-dimethylmalononitrile

: 5720-05-8
4-methylphenylboronic acid

: 118362-75-7
2,2-dimethyl-3-oxo-3-(p-tolyl)propanenitrile

Conditions

Conditions	Yield
Stage #1: 2,2-dimethylmalononitrile; 4-methylphenylboronic acid With [Rh(OH)(cod)]2; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In 1,4-dioxane at 80℃; for 6h; Inert atmosphere; Stage #2: With hydrogenchloride; water In 1,4-dioxane; tert-butyl methyl ether Inert atmosphere;	95%
With 4,4'-dimethyl-2,2'-bipyridines; palladium(II) acetylacetonate; toluene-4-sulfonic acid In water; toluene at 80℃; for 24h; Schlenk technique;	90%

: 7321-55-3
2,2-dimethylmalononitrile

: 140-29-4
phenylacetonitrile

: 74-88-4
methyl iodide

: 86164-70-7
2-methyl-2-phenylmalononitrile

Conditions

Conditions	Yield
Stage #1: phenylacetonitrile With methylmagnesium bromide; lithium chloride In tetrahydrofuran; diethyl ether at 20℃; for 0.5h; Inert atmosphere; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran; diethyl ether at 80℃; for 6h; Inert atmosphere; Stage #3: methyl iodide In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide at 80℃; for 16h; Inert atmosphere;	95%

...Expand

: 7321-55-3
2,2-dimethylmalononitrile

: 22426-30-8
2-cyano-2-methylpropanoic acid

Conditions

Conditions	Yield
enzyme from Synechocystis sp. PCC 6803 In phosphate buffer at 30℃; for 12h;	94%
With Bradyrhizobium japonicum strain USDA110 nitrilase bll6402 In phosphate buffer at 30℃; for 24h; pH=7.2;	93%

: 67856-45-5
6-Iodochromane

: 7321-55-3
2,2-dimethylmalononitrile

: chromane-6-carbonitrile

Conditions

Conditions	Yield
Stage #1: 6-iodo-chroman With isopropylmagnesium chloride In tetrahydrofuran at 0℃; for 0.5h; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran at 0 - 23℃; for 0.5h;	94%

: 7321-55-3
2,2-dimethylmalononitrile

: 5720-05-8
4-methylphenylboronic acid

: 104-85-8
para-methylbenzonitrile

Conditions

Conditions	Yield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; caesium carbonate In 1,4-dioxane at 100℃; for 6h; Inert atmosphere;	94%

: 7321-55-3
2,2-dimethylmalononitrile

: 7480-35-5, 13286-59-4, 74165-73-4, 126456-43-7, 136030-00-7, 140632-19-5, 140632-20-8
(1S,2R)-1-amino-2-indanol

: (3aS,3a'S,8aR,8a'R)-2,2'-(propane-2,2-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazole)

Conditions

Conditions	Yield
With zinc trifluoromethanesulfonate In toluene for 48h; Inert atmosphere; Reflux;	93%

: 7321-55-3
2,2-dimethylmalononitrile

: 576-83-0
2,4,6-trimethylphenyl bromide

: 2571-52-0
cyanomesitylene

Conditions

Conditions	Yield
Stage #1: 2,4,6-trimethylphenyl bromide With magnesium; lithium chloride In tetrahydrofuran at 23℃; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran at 0 - 23℃; for 0.5h;	93%

: 7321-55-3
2,2-dimethylmalononitrile

: 16932-45-9
1-bromo-2,6-dimethoxybenzene

: 16932-49-3
2,6-dimethoxybenzonitrile

Conditions

Conditions	Yield
Stage #1: 1-bromo-2,6-dimethoxybenzene With magnesium; lithium chloride In tetrahydrofuran at 23℃; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran at 0 - 23℃; for 0.5h;	93%

: 542-69-8
1-iodo-butane

: 7321-55-3
2,2-dimethylmalononitrile

: 104-47-2
p-methoxybenzylnitrile

: 2-butyl-2-(4-methoxyphenyl)malononitrile

Conditions

Conditions	Yield
Stage #1: p-methoxybenzylnitrile With methylmagnesium bromide; lithium chloride In tetrahydrofuran; diethyl ether at 20℃; for 0.5h; Inert atmosphere; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran; diethyl ether at 80℃; for 6h; Inert atmosphere; Stage #3: 1-iodo-butane In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide at 80℃; for 16h; Inert atmosphere;	93%

...Expand

: 7321-55-3
2,2-dimethylmalononitrile

: 586-77-6
4-bromo-N,N-dimethylaniline

: 1197-19-9
4-cyano-N,N-dimethylaniline

Conditions

Conditions	Yield
Stage #1: 4-bromo-N,N-dimethylaniline With magnesium; lithium chloride In tetrahydrofuran at 23℃; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran at 0 - 23℃; for 1h;	92%

: 7321-55-3
2,2-dimethylmalononitrile

: 99725-44-7
3,5-dimethyl-4-fluoro-1-bromobenzene

: 867367-02-0
4-fluoro-3,5-dimethylbenzonitrile

Conditions

Conditions	Yield
Stage #1: 3,5-dimethyl-4-fluoro-1-bromobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.0833333h; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran; hexane at -78 - 20℃; for 1h;	92%

: 7321-55-3
2,2-dimethylmalononitrile

: 1679-18-1
4-Chlorophenylboronic acid

: 118362-76-8
3-(4-chlorophenyl)-2,2-dimethyl-3-oxopropanenitrile

Conditions

Conditions	Yield
With 4,4'-dimethyl-2,2'-bipyridines; palladium(II) acetylacetonate; toluene-4-sulfonic acid In water; toluene at 80℃; for 24h; Schlenk technique;	92%
Stage #1: 2,2-dimethylmalononitrile; 4-Chlorophenylboronic acid With [Rh(OH)(cod)]2; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In 1,4-dioxane at 80℃; for 6h; Inert atmosphere; Stage #2: With hydrogenchloride; water In 1,4-dioxane; tert-butyl methyl ether Inert atmosphere;	91%

: 7321-55-3
2,2-dimethylmalononitrile

: 101251-09-6
(4-acetylaminophenyl)boronic acid

: N-(4-(2-cyano-2-methylpropanoyl)phenyl)acetamide

Conditions

Conditions	Yield
Stage #1: 2,2-dimethylmalononitrile; (4-acetylaminophenyl)boronic acid With [Rh(OH)(cod)]2; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In 1,4-dioxane at 80℃; for 6h; Inert atmosphere; Stage #2: With hydrogenchloride; water In 1,4-dioxane; tert-butyl methyl ether Inert atmosphere;	92%

: 932-31-0
ortho-tolylmagnesium bromide

: 7321-55-3
2,2-dimethylmalononitrile

: 529-19-1
2-Methylbenzonitrile

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 23℃; for 0.5h;	91%

: 104-92-7
1-bromo-4-methoxy-benzene

: 7321-55-3
2,2-dimethylmalononitrile

: 874-90-8
4-methoxybenzonitrile

Conditions

Conditions	Yield
Stage #1: 1-bromo-4-methoxy-benzene With TurboGrignard In tetrahydrofuran; 1,4-dioxane at 0℃; for 48h; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran; 1,4-dioxane at 0 - 23℃; for 0.5h;	91%

: 7321-55-3
2,2-dimethylmalononitrile

: 3975-77-7
1-bromo-2,4,6-tri-tert-butylbenzene

: 24309-22-6
2,4,6-tri-(tert-butyl)benzonitrile

Conditions

Conditions	Yield
Stage #1: 1-bromo-2,4,6-tri-tert-butylbenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.25h; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran; hexane at -78 - 23℃; for 1h;	91%

: 7321-55-3
2,2-dimethylmalononitrile

: 13922-41-3
1-Naphthylboronic acid

: 2,2-dimethyl-3-(naphthalen-1-yl)-3-oxopropanenitrile

Conditions

Conditions	Yield
With 4,4'-dimethyl-2,2'-bipyridines; palladium(II) acetylacetonate; toluene-4-sulfonic acid In water; toluene at 80℃; for 24h; Schlenk technique;	91%
With 6,6'-dimethyl-2,2'-bipyridine; p-nitrobenzenesulfonic acid; water; palladium(II) acetylacetonate In toluene at 95℃; for 20h;	86%

Propanedinitrile,2,2-dimethyl- Specification

The Propanedinitrile,2,2-dimethyl-, with the CAS registry number 7321-55-3, has the systematic name of dimethylpropanedinitrile. It belongs to the following product categories: C1 to C5; Cyanides/Nitriles; Nitrogen Compounds. And the molecular formula of the chemical is C₅H₆N₂.

The characteristics of Propanedinitrile,2,2-dimethyl- are as followings: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.48; (8)ACD/KOC (pH 7.4): 30.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 47.58 Å²; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 25 cm³; (15)Molar Volume: 97.8 cm³; (16)Polarizability: 9.91×10^-24cm³; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 0.961 g/cm³; (19)Flash Point: 77.8 °C; (20)Enthalpy of Vaporization: 40.59 kJ/mol; (21)Boiling Point: 169.5 °C at 760 mmHg; (22)Vapour Pressure: 1.54 mmHg at 25°C.

Preparation of Propanedinitrile,2,2-dimethyl-: This chemical can be prepared by malononitrile and iodomethane. The reaction will need reagent potassium tert-butoxide, and the catalyst tetrabutylammonium bromide. The reaction time is 2 hours with ambient temperature, and the yield is about 76%.

Uses of Propanedinitrile,2,2-dimethyl-: It can react with benzene-1,2-diamine; dihydrochloride to produce 2,2-bis(benzimidazole-2-yl)propane. And the yield is about 70%.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin, and it is also toxic by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#CC(C#N)(C)C
(2)InChI: InChI=1/C5H6N2/c1-5(2,3-6)4-7/h1-2H3
(3)InChIKey: BCMJJXWXMZYZKN-UHFFFAOYAH

Product Name

DIMETHYLMALONONITRILE

Synthetic route

Propanedinitrile,2,2-dimethyl- Specification

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