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14542-93-9

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Identification

Name
1,1,3,3-TETRAMETHYLBUTYL ISOCYANIDE
CAS
14542-93-9
Synonyms
1,1,3,3-TETRAMETHYLBUTYL ISOCYANIDE
1,1,3,3-TETRAMETHYLBUTYLISONITRILE
TERT-OCTYL ISOCYANIDE
TERT-OCTYLISONITRILE
WALBORSKY REAGENT
WALBORSKY'S REAGENT
2-isocyano-2,4,4-trimethyl-pentan
1,1,3,3-TETRAMETHYLBUTYL ISOCYANIDE, TEC H., 90+%
Pentane, 2-isocyano-2,4,4-trimethyl-
1,1,3,3-TETRAMETHYLBUTYL ISOCYANIDE 97+%
tert-Octyl isocyanide, Walborskys reagent
EINECS(EC#)
238-577-8
Molecular Formula
C9H17N
MDL Number
MFCD00000003
Molecular Weight
139.24
MOL File
14542-93-9.mol

Chemical Properties

Appearance
clear colorless liquid
bp 
55-57 °C11 mm Hg(lit.)

density 
0.794 g/mL at 25 °C(lit.)

refractive index 
n20/D 1.422(lit.)

Fp 
125 °F

storage temp. 
2-8°C

CAS DataBase Reference
14542-93-9(CAS DataBase Reference)

Questions And Answer(Q&A)

Preparation
To a stirred solution of 83.0 g (0.528 mole) of N-(l,l,3,3-tetramethylbutyl) formamide in 11 of DMF was added dropwise, under a nitrogen atmosphere, a solution made up of thionyl chloride (40.3 ml, 0.55 mole) dissolved in 150 ml of DMF. The addition was at such a rate that the temperature did not exceed -50°C. After the addition, the cooling bath was removed momentarily to allow the temperature to increase to -35°C and then it was replaced while 118.0 g (1.11 mole) of sodium carbonate (anhydrous grade) was added. Then the cooling bath was removed and the reaction mixture was diluted with ice-cold water in a separatory funnel and then extracted with pentane. The pentane extract was dried over sodium sulfate and concentrated, and the product distilled to yield 68.4 g (93% yield), b.p. 55.5-56.6°C (11 mm). Infrared spectrum (neat) 2110 c m " 1 (s); nmr (neat) 51.08 [s, 9, C(CH3) 2] , 1.43 [t, 6, J = 2Hz, C(CH3) 2] , 1.58 (t, 2, J = 2.3 Hz, CH2).
Preparation of1,1,3,3-Tetramethylbutylisonitrile

Safety Data

Hazard Codes 
Xn
Risk Statements 
R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
RIDADR 
UN 1993 3/PG 3

WGK Germany 
3


10-21
HazardClass 
3.2
PackingGroup 
III

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