2-Methyl-2-propanyl 3-cyano-1-azetidinecarboxylate

Basic Information

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CAS Number

142253-54-1

Molecular Formula

C9H14N2O2

Molecular Weight

171.24 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

Physical State

White to Yellow Solid

Melting Point

68-73°C

Flash Point

129.281℃

SMILES

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

InChI

InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,5-6H2,1-3H3

InChIKey

WEFREESWPHICPL-UHFFFAOYSA-N

LogP

1.8732

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

253

Safety Information

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GHS Hazard Pictograms

H331

H302

H312

H315

H319

H335

Hazard Statement

H331 Toxic if inhaled
Acute toxicity, inhalation

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

1-N-Boc-3-cyanoazetidine
DTXSID90442692
Tert-butyl 3-cyanoazetidine-1-carboxylate
AM20080321
FT-0645813
Tert-butyl3-cyanoazetidine-1-carboxylate
SCHEMBL28392
142253-54-1
WEFREESWPHICPL-UHFFFAOYSA-N
1-n-boc-3-cyano-azetidine
AKOS005258615
1-(N-Boc)-3-cyanoazetidine, AldrichCPR
B66744
1-(t-butoxycarbonyl)-3-cyanoazetidine
AC-2223
SY018068
1-Boc-3-cyanoazetidine
1-Boc-azetidine-3-carbonitrile tert-Butyl 3-cyanoazetidine-1-carboxylate
1-(n-boc)-3-cyanoazetidine
1-AZETIDINECARBOXYLIC ACID, 3-CYANO-, 1,1-DIMETHYLETHYL ESTER
PB21991
EN300-80920
CS-0001914
TS-02541
3-cyanoazetidine-1-carboxylic acid tert-butyl ester
MFCD06796640
A12700
1-Boc-3-Cyanoazetidine
3-CYANO-1-BOC-AZETIDINE
3-CYANO-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-N-BOC-3-CYANO-AZETIDINE

MDL Number

MFCD06796640

Customs Code

2933990090

FAQ

What is 2-Methyl-2-propanyl 3-cyano-1-azetidinecarboxylate (CAS: 142253-54-1)?

2-Methyl-2-propanyl 3-cyano-1-azetidinecarboxylate, also known by its CAS number 142253-54-1, is an organic compound with a unique structure that includes a cyano group and an azetidine ring. It is primarily used in the pharmaceutical industry for synthesizing other compounds. The compound has a molecular formula of C8H11N3O2 and is characterized by its distinctive functional groups.

What are the main uses of 2-Methyl-2-propanyl 3-cyano-1-azetidinecarboxylate (CAS: 142253-54-1)?

2-Methyl-2-propanyl 3-cyano-1-azetidinecarboxylate (CAS: 142253-54-1) is mainly used in the pharmaceutical industry for the synthesis of various drugs. It serves as a key intermediate in the production of compounds with therapeutic properties. Additionally, it has applications in research and development for new drug discovery.

Is 2-Methyl-2-propanyl 3-cyano-1-azetidinecarboxylate (CAS: 142253-54-1) safe?

2-Methyl-2-propanyl 3-cyano-1-azetidinecarboxylate (CAS: 142253-54-1) is generally safe when handled with appropriate precautions. However, it is important to follow safety guidelines, including the use of proper personal protective equipment (PPE) such as gloves and goggles, to avoid skin and eye contact. Storage and handling should be conducted in a well-ventilated area away from heat sources and incompatible materials.

How should 2-Methyl-2-propanyl 3-cyano-1-azetidinecarboxylate (CAS: 142253-54-1) be stored?

2-Methyl-2-propanyl 3-cyano-1-azetidinecarboxylate (CAS: 142253-54-1) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and air exposure. The storage temperature should be maintained between 0°C and 25°C to ensure the stability and safety of the compound. It is also important to avoid contact with oxidizers and reactive metals.