Pentanenitrile,2-propyl- supplier

Name
2-PROPYLVALERONITRILE
EINECS 236-338-2
CAS No. 13310-75-3
Article Data20
CAS DataBase
Density 0.811 g/cm³
Solubility
Melting Point
Formula C₈H₁₅N
Boiling Point 193 °C at 760 mmHg
Molecular Weight 125.214
Flash Point 82.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valeronitrile,2-propyl- (7CI,8CI);2-Propylpentanenitrile;2-Propylvaleronitrile;4-Cyanoheptane;Dipropylacetonitrile;
PSA 23.79000
LogP 2.72638

Synthetic route

: 998-95-8
4-chloroheptane

: 143-33-9
sodium cyanide

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
With tetrakis[tris(dimethylamino)phosphoranylideneamino] phosphonium bromide; tris phosphate In DMF (N,N-dimethyl-formamide) at 110℃; for 6h;	89%

: 110-59-8
pentanonitrile

: 5340-48-7
4-Cyan-4-propylheptan

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
	83.82%
	78.2%

: 124243-25-0
1-<4-(4-Cyanoheptyl)>-2-carbomethoxyhydrazine

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
With sodium cyanide In methanol at 17℃; for 4.7h; electrolysis;	79%

: 110-59-8
pentanonitrile

: 106-94-5
propyl bromide

A: 13310-75-3
di-N-propyl acetonitrile

B: 5340-48-7
4-Cyan-4-propylheptan

Conditions

Conditions	Yield
With sodium In toluene for 2h; Irradiation;	A 78% B 2%

...Expand

: 14978-96-2
1-Methoxycarbonyl-2-(4-heptylidene)hydrazine

: 143-33-9
sodium cyanide

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
In methanol at 17℃; for 4.7h; after standing for seven days before electrolysis;	77%

: 66546-92-7
methyl 2-cyano-2-propylpentanoate

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
With lithium chloride In water; dimethyl sulfoxide at 150℃; Inert atmosphere;	77%

: 110-59-8
pentanonitrile

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
	65.2%

: 106-94-5
propyl bromide

: 75-05-8
acetonitrile

A: 110-59-8
pentanonitrile

B: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
With sodium In toluene for 2h; Irradiation;	A 44% B 20%

...Expand

: 998-93-6
4-bromoheptane

: 151-50-8
potassium cyanide

: 13310-75-3
di-N-propyl acetonitrile

: 110-59-8
pentanonitrile

: 106-94-5
propyl bromide

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
With sodium amide

: 123-19-3
4-heptanone

: 38622-91-2, 36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
With potassium tert-butylate In 1,2-dimethoxyethane; ethanol

: 2430-27-5
valpromide

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
With pyridine; trichlorophosphate
With triethylamine; trifluoroacetic anhydride In 1,4-dioxane at 0℃;

: 63883-82-9
4-heptanone trisylhydrazone

: 151-50-8
potassium cyanide

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
In methanol for 3h; Heating; Yield given;

: 124243-19-2
1-Acetyl-2-(4-heptylidene)hydrazine

: 143-33-9
sodium cyanide

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
In methanol at 17℃; for 4.7h; electrolysis;	27 % Chromat.

: 128721-94-8
Benzoic acid N'-(1-cyano-1-propyl-butyl)-hydrazide

A: 123-19-3
4-heptanone

B: 13310-75-3
di-N-propyl acetonitrile

C: 135664-51-6
2-benzoyl-2-n-propylpentanenitrile

Conditions

Conditions	Yield
With air; sodium cyanide; acetic acid; Aliquat 336 In hexane; water for 3h; Product distribution; Ambient temperature; other reagents, other solvents, other catalysts;

...Expand

: 143-33-9
sodium cyanide

: 124243-15-8
4-Heptanone benzoylhydrazone

A: 93-58-3
benzoic acid methyl ester

B: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
In methanol at 17℃; for 4.7h; electrolysis;	A 45 % Chromat. B 44 % Chromat.

...Expand

dipropylcyanoacetic acid: dipropylcyanoacetic acid

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
langsame Destillieren;

: 123-19-3
4-heptanone

sodium: sodium

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetrahydrofuran / 2 h / Ambient temperature 2: methanol / 3 h / Heating View Scheme

: 123-19-3
4-heptanone

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: AcOH / methanol / 6 h / Heating 2: 77 percent / methanol / 4.7 h / 17 °C / after standing for seven days before electrolysis View Scheme
Multi-step reaction with 3 steps 1: AcOH / methanol / 6 h / Heating 2: AcOH / methanol / Ambient temperature 3: 79 percent / NaCN / methanol / 4.7 h / 17 °C / electrolysis View Scheme
Multi-step reaction with 2 steps 1: AcOH / methanol / 6 h / Heating 2: 44 percent Chromat. / methanol / 4.7 h / 17 °C / electrolysis View Scheme
Multi-step reaction with 2 steps 1: AcOH / methanol / 6 h / Heating 2: 27 percent Chromat. / methanol / 4.7 h / 17 °C / electrolysis View Scheme

: 14978-96-2
1-Methoxycarbonyl-2-(4-heptylidene)hydrazine

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: AcOH / methanol / Ambient temperature 2: 79 percent / NaCN / methanol / 4.7 h / 17 °C / electrolysis View Scheme

20%-hydrochloric acid: 20%-hydrochloric acid

: 110-59-8
pentanonitrile

: 106-94-5
propyl bromide

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
In di-isopropyl ether; water

...Expand

: 66546-90-5
ethyl 2-cyano-2-propylpentanoate

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide 2: toluene / Reflux View Scheme

: 66546-91-6
2-cyano-2-propyl-valeric acid

: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
In toluene Reflux;

: 13310-75-3
di-N-propyl acetonitrile

: 106-94-5
propyl bromide

: 5340-48-7
4-Cyan-4-propylheptan

Conditions

Conditions	Yield
	94.5%
With sodium amide; toluene

: 13310-75-3
di-N-propyl acetonitrile

: 58749-30-7
(3-phenylpropane-1,1-diyl)bis(phenylsulfane)

: 1-phenyl-5-propyl-octan-4-one

Conditions

Conditions	Yield
Stage #1: (3-phenylpropane-1,1-diyl)bis(phenylsulfane) With titanocene(II) triethylphosphite complex In tetrahydrofuran at 20℃; for 0.25h; complexation; Stage #2: di-N-propyl acetonitrile In tetrahydrofuran at 20℃; for 1h; Alkylation; Stage #3: With sodium hydroxide Hydrolysis;	85%

: 13310-75-3
di-N-propyl acetonitrile

: 99-66-1
valproic acid

Conditions

Conditions	Yield
With sodium perborate at 240℃; for 1h;	82.5%
With benzene-1,2-dicarboxylic acid at 240℃; under 3040 Torr; for 1h;	74%
With sodium hydroxide

: 13310-75-3
di-N-propyl acetonitrile

: 40755-20-2
2-propylpentan-1-amine

Conditions

Conditions	Yield
With aluminum (III) chloride; lithium aluminium tetrahydride In diethyl ether at 20℃; for 1h; Inert atmosphere;	77%
With ethanol; sodium
With hydrogen; nickel
With lithium aluminium tetrahydride In tetrahydrofuran at 70℃; for 24h;

: 13310-75-3
di-N-propyl acetonitrile

: 5-(heptan-4-yl)-1H-tetrazole

Conditions

Conditions	Yield
With sodium azide; ammonium chloride In N,N-dimethyl-formamide Reflux;	34%

: 13310-75-3
di-N-propyl acetonitrile

: 2-bromo-2-propyl-valeronitrile

Conditions

Conditions	Yield
With bromine

: 693-03-8
n-butyl magnesium bromide

: 13310-75-3
di-N-propyl acetonitrile

: 51864-95-0
4-propyl-nonan-5-one

Conditions

Conditions	Yield
In diethyl ether

: 617-86-7
triethylsilane

: 13310-75-3
di-N-propyl acetonitrile

: 35289-16-8
(2-Propyl-pent-1-enyl)-triethylsilanyl-amine

Conditions

Conditions	Yield
With triethylamine; zinc(II) chloride at 170℃;

: 74-83-9
methyl bromide

: 13310-75-3
di-N-propyl acetonitrile

: 40239-27-8
3-propyl-2-hexanone

Conditions

Conditions	Yield
(i) Mg, Et2O, (ii) /BRN= 1744050/; Multistep reaction;

: 64-17-5
ethanol

: 13310-75-3
di-N-propyl acetonitrile

: 57554-21-9
Ethyl di-n-propyl-acetimidat

Conditions

Conditions	Yield
With hydrogenchloride for 336h;

: 13310-75-3
di-N-propyl acetonitrile

: 75-16-1
methylmagnesium bromide

: 40239-27-8
3-propyl-2-hexanone

: 13310-75-3
di-N-propyl acetonitrile

: 925-90-6
ethylmagnesium bromide

: 40239-34-7
4-propyl-heptan-3-one

Conditions

Conditions	Yield
In diethyl ether

: 13310-75-3
di-N-propyl acetonitrile

: 927-77-5
n-propylmagnesium bromide

: 40239-43-8
5-propyl-octan-4-one

Conditions

Conditions	Yield
In diethyl ether

Pentanenitrile,2-propyl- Specification

The Pentanenitrile,2-propyl- is an organic compound with the formula C₈H₁₅N. The IUPAC name of this chemical is 2-Propylpentanenitrile. The CAS registry number of this chemical is 13310-75-3. Besides, its molecular weight is 125.21.

Physical properties about Pentanenitrile,2-propyl- are: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 2.56; (4)ACD/BCF (pH 5.5): 51.67; (5)ACD/BCF (pH 7.4): 51.67; (6)ACD/KOC (pH 5.5): 586.11; (7)ACD/KOC (pH 7.4): 586.11; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 23.79 Å²; (11)Index of Refraction: 1.419; (12)Molar Refractivity: 38.98 cm³; (13)Molar Volume: 154.3 cm³; (14)Polarizability: 15.45×10^-24 cm³; (15)Surface Tension: 28.3 dyne/cm; (16)Density: 0.811 g/cm³; (17)Flash Point: 82.3 °C; (18)Enthalpy of Vaporization: 42.92 kJ/mol; (19)Boiling Point: 193 °C at 760 mmHg; (20)Vapour Pressure: 0.475 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-[4-(4-Cyanoheptyl)]-2-carbomethoxyhydrazine. This reaction will need reagent NaCN and solvent methanol. The reaction time is 4.7 hours with reaction temperature of 17 °C. The yield is about 79%.

Pentanenitrile,2-propyl- can be obtained by 1-[4-(4-Cyanoheptyl)]-2-carbomethoxyhydrazine

Uses of Pentanenitrile,2-propyl-: it can be used to produce 2-Propyl-valeric acid at temperature of 240 °C. It will need reagent NaBO₃•4H₂O with reaction time of 1 hour. The yield is about 82.5%.

Pentanenitrile,2-propyl- can be used to produce 2-Propyl-valeric acid

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H15N/c1-3-5-8(7-9)6-4-2/h8H,3-6H2,1-2H3
(2)InChIKey: YCBOPMITSGZJDX-UHFFFAOYAO
(3)Std. InChI: InChI=1S/C8H15N/c1-3-5-8(7-9)6-4-2/h8H,3-6H2,1-2H3
(4)Std. InChIKey: YCBOPMITSGZJDX-UHFFFAOYSA-N

Product Name

2-PROPYLVALERONITRILE

Synthetic route

Pentanenitrile,2-propyl- Specification

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