(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid

Basic Information

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CAS Number

183062-96-6

Molecular Formula

C10H17NO4

Molecular Weight

215.25 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

Melting Point

116.0 to 120.0 deg-C

Boiling Point

341.6°C at 760 mmHg

Flash Point

160.411℃

SMILES

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

InChI

InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)

InChIKey

VEFHUWJIRFTGRB-UHFFFAOYSA-N

LogP

1.328

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

263

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

Synonyms & References

English

3-carboxymethylazetidine-1-carboxylic acid tert-butyl ester
F8889-4925
2-[1-(Tert-butoxycarbonyl)azetidin-3-yl]acetic acid
AM20090070
2-(1-tert-Butoxycarbonylazetidin-3-yl)acetic acid
B6013
2-(1-(tert-Butoxycarbonyl)azetidin-3-yl)acetic acid, AldrichCPR
J-505410
3-Carboxymethyl-azetidine-1-carboxylic acid tert-butyl ester
N-Boc-3-azetidine acetic acid
3-Azetidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-
AKOS005259787
1-Boc-3-azetidineacetic acid
AC-24372
183062-96-6
[1-(tert-butoxycarbonyl)azetidin-3-yl]acetic acid
BCP21213
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic Acid
CS-W002896
SY018086
FT-0648455
A4047
(1-{[(1,1-dimethylethyl)oxy]carbonyl}-3-azetidinyl)acetic acid
PB19977
DTXSID70455063
DS-13071
MFCD02179028
EN300-83201
SCHEMBL894282
Z1238700557
VEFHUWJIRFTGRB-UHFFFAOYSA-N

MDL Number

MFCD02179028

FAQ

What are the physical and chemical properties of (1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid (CAS: 183062-96-6)?

(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid is a white crystalline solid with a molecular weight of approximately 224.3 g/mol. It has a high solubility in water and organic solvents. The compound exhibits good reactivity towards nucleophiles and is generally stable under normal conditions but susceptible to hydrolysis under acidic or basic conditions. The compound is used as an intermediate in pharmaceuticals and other applications.

How is (1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid (CAS: 183062-96-6) typically synthesized?

(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid is typically synthesized via a multi-step process involving the protection of the azetidinone functionality followed by acetylation and subsequent deprotection. Commonly, this involves using reagents such as tert-butyldimethylsilyl chloride for protection, followed by acetic anhydride for acetylation, and finally, HBr for deprotection. The overall yield is around 70-80%, with good regioselectivity.

What industries use (1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid (CAS: 183062-96-6)?

(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various bioactive compounds. It is also utilized in the polymer industry for the development of new materials and in the sensor industry for the fabrication of chemical sensors. In the semiconductor industry, the compound can be used as a precursor in the production of certain materials with specific electronic properties.

What precautions should be taken when handling (1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid (CAS: 183062-96-6)?

When handling (1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood due to its potential to release vapors. Spills should be cleaned up immediately using appropriate absorbents and following the manufacturer's guidelines. MSDS (Material Safety Data Sheet) should be consulted for detailed safety information and emergency procedures. The compound is generally stable but should be stored in a cool, dry place away from strong acids and bases.