tert-Butyl azetidin-3-ylcarbamate

Basic Information

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CAS Number

91188-13-5

Molecular Formula

C8H16N2O2

Molecular Weight

172.23 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

63-72 °C

Boiling Point

267.5℃ at 760 mmHg

Density

1.06

Water Solubility

Soluble in water. (5g/100ml)

Flash Point

116°(241°F)

Refractive Index

1.49

SMILES

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CC(C)(C)OC(=O)NC1CNC1

InChI

InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H,10,11)

InChIKey

NEMXVXVJGXZDRR-UHFFFAOYSA-N

LogP

0.4829

Topological Polar Surface Area

50.36 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

170

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-(N-Boc-Amino)azetidine
tert-Butyl azetidin-3-ylcarbamate
3-Boc-aminoazetidine
3-(Boc-amino)azetidine
3-N-Boc-Aminoazetidine
3-N-Boc-amino-azetidine
azetidine-3-yl-carbamic acid tert-butyl ester
tert-butyl N-(azetidin-3-yl)carbamate
tert-Butyl 3-azetidinylcarbamate
Azetidin-3-yl-carbamic acid tert-butyl ester
3-(BOC-AMINO)-AZETIDINE
3-(tert-butoxycarbonylamino)azetidine
Carbamic acid, 3-azetidinyl-, 1,1-dimethylethyl ester
Carbamic acid, N-3-azetidinyl-, 1,1-dimethylethyl ester
3-[(tert-Butoxycarbonyl)amino]azetidine
PubChem1016
Carbamic acid, 3-azetidinyl-, 1,1-dimethylethyl ester (9CI)
1,1-Dimethylethyl 3-azetidinylcarbamate
3-(tert-Butoxycarbonylamino)azetidine
3-[N-(tert-Butyloxycarbonyl)amino]azetidine
Azetidin-3-ylcarbamic acid tert-butyl ester
Azetidine-3-ylcarbamic acid tert-butyl ester
N-(Azetidin-3-yl)carbamic acid tert-butyl ester
tert-Butyl N-azetidin-3-ylcarbamate
3-(boc-amino)azetidine
tert.-butyl-azetidin-3-ylcarbamate
azetidin-3-ylcarbamic acid tert-butyl ester
t-butyl azetidin-3-ylcarbamate
Q-103146
1,1-dimethylethyl 3-azetidinylcarbamate
tert-butyl N-azetidin-3-ylcarbamate

MDL Number

MFCD01861759

Customs Code

2933990090

FAQ

What is tert-Butyl azetidin-3-ylcarbamate (CAS: 91188-13-5)?

Tert-Butyl azetidin-3-ylcarbamate (CAS: 91188-13-5) is a carbamate derivative with the chemical formula C7H15NO3. It is a white crystalline solid, commonly used as an intermediate in pharmaceutical synthesis. The compound features a four-membered azetidine ring linked to a carbamate group, providing stability and reactivity in organic reactions.

What are the main uses of tert-Butyl azetidin-3-ylcarbamate (CAS: 91188-13-5)?

Tert-Butyl azetidin-3-ylcarbamate (CAS: 91188-13-5) is primarily used in pharmaceutical research for the development of drugs targeting neurological disorders. It serves as a key intermediate in synthesizing active pharmaceutical ingredients (APIs) and is also applied in organic chemistry for creating complex molecular structures. Its utility extends to industrial processes involving carbamate-based compounds.

Is tert-Butyl azetidin-3-ylcarbamate (CAS: 91188-13-5) safe?

Tert-Butyl azetidin-3-ylcarbamate (CAS: 91188-13-5) is generally considered safe when handled properly. It may cause mild irritation if inhaled or contacted with skin, so protective measures like gloves, goggles, and ventilation are recommended. Safety data sheets (SDS) advise avoiding prolonged exposure and following standard chemical safety protocols for handling carbamates.

How should tert-Butyl azetidin-3-ylcarbamate (CAS: 91188-13-5) be stored?

Tert-Butyl azetidin-3-ylcarbamate (CAS: 91188-13-5) should be stored in a cool, dry place (ideally 2-8°C), protected from light. Keep in sealed, airtight containers to prevent moisture absorption. Avoid exposure to incompatible substances and ensure proper labeling. Stability is maintained under these conditions, but long-term storage requires controlled environmental factors.