2-Methyl-2-propanyl 3-(cyanomethylene)-1-azetidinecarboxylate

Basic Information

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CAS Number

1153949-11-1

Molecular Formula

C10H14N2O2

Molecular Weight

194.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

309.7±35.0°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)N1CC(=CC#N)C1

InChI

InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h4H,6-7H2,1-3H3

InChIKey

BESFCRTTXQYNBW-UHFFFAOYSA-N

Complexity

309

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

1-Boc-3-(cyanomethylene)azetidine
3-Cyanomethylene-azetidine-1-carboxylic acid tert-butyl ester
tert-butyl 3-(cyanoMethylene)azetidine-1-carboxylate
tert-butyl 3-(cyanoMethylidene)azetidine-1-carboxylate
3-(Cyanomethylene)-1-azetidinecarboxylic acid tert-butyl ester
P-Hydroxy phenyl butanone (Raspberry ketone)
1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine
tert-Butyl 3-(cyanomethylene)
AM80934
ANW-68852
CTK8C2692
PB13560
SureCN344121
tert-butyl 3-cyanomethyleneazetidine-1-carboxylate
3-(Cyanomethylene)azetidine-1-carboxylic Acid tert-Butyl Ester
BESFCRTTXQYNBW-UHFFFAOYSA-N
BCP07281
2512AA
FCH1134410
SY039807
AX8217234
AB0072803
B5217
tert-butyl 3-cyanomethyle
tert-butyl 3-(cyanomethylene)azetidine-1-carboxylate

MDL Number

MFCD12761241

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 3-(cyanomethylene)-1-azetidinecarboxylate (CAS: 1153949-11-1)?

2-Methyl-2-propanyl 3-(cyanomethylene)-1-azetidinecarboxylate is a crystalline compound with a molecular weight of approximately 204.24 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly towards nucleophiles and reducing agents. It is stable under normal laboratory conditions but should be stored in a cool, dry place to prevent degradation.

How is 2-Methyl-2-propanyl 3-(cyanomethylene)-1-azetidinecarboxylate (CAS: 1153949-11-1) typically synthesized?

2-Methyl-2-propanyl 3-(cyanomethylene)-1-azetidinecarboxylate is typically synthesized via a multi-step process involving the use of acrylonitrile, 2-methyl-2-propanol, and an appropriate catalyst such as a strong base. The reaction proceeds with good selectivity and yields up to 85%, making it a viable method for industrial production.

What industries use 2-Methyl-2-propanyl 3-(cyanomethylene)-1-azetidinecarboxylate (CAS: 1153949-11-1)?

2-Methyl-2-propanyl 3-(cyanomethylene)-1-azetidinecarboxylate finds applications in the pharmaceutical industry for synthesizing various intermediates and in the polymer industry for developing new materials. It is also used in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Methyl-2-propanyl 3-(cyanomethylene)-1-azetidinecarboxylate (CAS: 1153949-11-1)?

When handling 2-Methyl-2-propanyl 3-(cyanomethylene)-1-azetidinecarboxylate, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.