2-Methyl-2-propanyl 2,3-dihydro-1H-pyrrole-1-carboxylate

Basic Information

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CAS Number

73286-71-2

Molecular Formula

C9H15NO2

Molecular Weight

169.22 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

Colorless to Yellow Liquid

Boiling Point

214-215℃ at 760 mmHg

Density

0.980 g/mL at 25 °C

Refractive Index

n20/D 1.468

SMILES

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CC(C)(C)OC(=O)N1CCC=C1

InChI

InChI=1S/C9H15NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4,6H,5,7H2,1-3H3

InChIKey

DCVICHWBECIALB-UHFFFAOYSA-N

LogP

2.1409000000000002

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

203

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

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

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

AM804294
1-n-boc-2,3-dihydropyrrole
73286-71-2
A12990
DCVICHWBECIALB-UHFFFAOYSA-N
DTXSID00445634
Tert-butyl 2,3-dihydropyrrole-1-carboxylate
1-?N-?Boc-?2,?3-?dihydro-?pyrrole
BCP24357
N-Boc-2,3-dihydro-1H-pyrrole
MFCD03839942
CS-0038328
1-N-Boc-2,3-dihydro-pyrrole
N-Boc-2-pyrroline
1H-PYRROLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
PB34065
1-(tert-Butoxycarbonyl)-2,3-dihydro-1H-pyrrole
N-Boc-2,3-dihydro-1H-pyrrole, 95%
SCHEMBL1601359
1-Boc-2,3-dihydropyrrole
N-Boc pyrroline
N-BOC-PYRROLINE
EN300-101013
SY014718
AS-38536
AKOS015898294
N-(tert-butoxycarbonyl)-2,3-dihydropyrrole
tert-butyl 2,3-dihydro-1h-pyrrole-1-carboxylate
tert-Butyl 2,3-dihydro-1H-pyrrole-1-carboxylate
1H-Pyrrole-1-carboxylicacid, 2,3-dihydro-, 1,1-dimethylethyl ester
1-N-BOC-2,3-Dihydropyrrole

MDL Number

MFCD03839942

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 73286-71-2)?

2-Methyl-2-propanyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 73286-71-2) is a colorless to white crystalline solid with a molecular weight of approximately 196.24 g/mol. It is soluble in organic solvents such as ethanol and acetone. This compound is known for its reactivity in nucleophilic substitution and condensation reactions.

How is 2-Methyl-2-propanyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 73286-71-2) typically synthesized?

2-Methyl-2-propanyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 73286-71-2) can be synthesized through the condensation of 2-methyl-2-propanol with 2,3-dihydro-1H-pyrrole-1-carboxylic acid. Commonly, this is achieved using a base such as sodium hydroxide as a catalyst. The yield is typically around 75-85%, and the product is isolated by recrystallization from an appropriate solvent.

What industries use 2-Methyl-2-propanyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 73286-71-2)?

2-Methyl-2-propanyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 73286-71-2) is primarily used in the pharmaceutical industry for the synthesis of various intermediates and in the polymer industry for the development of new materials. It also finds applications in the production of sensors and semiconductors.

What precautions should be taken when handling 2-Methyl-2-propanyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 73286-71-2)?

When handling 2-Methyl-2-propanyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 73286-71-2), it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated fume hood. In case of a spill, it should be carefully cleaned up with appropriate absorbent materials, and the area should be thoroughly rinsed. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal procedures.