CAS No.13310-75-3,2-PROPYLVALERONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13310-75-3
Name:	2-PROPYLVALERONITRILE
Article Data:	20

Formula:	C₈H₁₅N
Molecular Weight:	125.214
Synonyms:	Valeronitrile,2-propyl- (7CI,8CI);2-Propylpentanenitrile;2-Propylvaleronitrile;4-Cyanoheptane;Dipropylacetonitrile;
EINECS:	236-338-2
Density:	0.811 g/cm³
Boiling Point:	193 °C at 760 mmHg
Flash Point:	82.3 °C
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

Total:45 Page 1 of 2 1 2 Next>>

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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