TERT-BUTYLMALONONITRILE Chemical Properties

Melting point:

84 °C

Boiling point:

80-85 °C(Press: 7 Torr)

Density 

0.930±0.06 g/cm3(Predicted)

solubility 

soluble in Methanol

form 

powder to crystaline

color 

White to Orange to Green

InChIKey

TUJPHMQZSDKRSL-UHFFFAOYSA-N

CAS DataBase Reference

4210-60-0

Safety Information

Risk Statements 

23/24/25

Safety Statements 

26-36/37/39

RIDADR 

3276

HazardClass 

6.1

PackingGroup 

III

HS Code 

2926907090

TERT-BUTYLMALONONITRILE Usage And Synthesis

Uses

TERT-BUTYLMALONONITRILE can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.

Synthesis

The reaction was carried out under nitrogen. To the solution of aluminum chloride (14.5 g, 100 mmol) in 40 mL of nitromethane was added malonodinitrile 26 (6.6 g, 100 mmol). The temperature of the reaction mixture was kept between -15 and -20 °C, and tert-butyl bromide (22 g, 160 mmol) was added over a period of 30-45 min. The reaction mixture was allowed to warm to 0-5 °C and was maintained at that temperature. The reaction was monitored by TLC; the eluent was 30% EA/hexane. More tert-butyl bromide was added to complete the reaction. The reaction was worked up after 15 h by addition of a saturated solution of sodium bicarbonate to neutralize the HBr produced. The reaction mixture was extracted with methylene chloride. The organic layer was dried over anhydrous sodium sulfate and concentrated over vacuum. The 27 obtained (8.5 g, 70% yield) can be used for the next step without purification. t-Butylmalonodinitrile 27, yield (8.5 g, 70%) 1H NMR (300 MHz, CDCl3): δ 3.42(s, H), 1.24 (s, 9H).

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