Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate

Basic Information

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CAS Number

68471-57-8

Molecular Formula

C12H13NO2

Molecular Weight

203.24 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Density

1.151 g/mL at 25 °C

Refractive Index

n20/D 1.554

SMILES

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C1CN(C=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-4,6-8H,5,9-10H2

InChIKey

ZNLOEFQSAKKFGT-UHFFFAOYSA-N

LogP

2.542600000000001

Topological Polar Surface Area

29.540000000000003 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

244

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Synonyms & References

English

68471-57-8
N-Cbz-2-Pyrroline
CS-0183217
MFCD20484343
FT-0724912
Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate
N-Benzyloxycarbonyl-2-pyrroline
2-pyrroline-1-benzylcarboxylate
Benzyl 2,3-dihydropyrrole-1-carboxylate
SCHEMBL2767868
2,3-Dihydro-pyrrole-1-carboxylic acid benzyl ester
benzyl 2,3-dihydro-1hpyrrole-1-carboxylate
F12537
Benzyl2,3-dihydro-1H-pyrrole-1-carboxylate
ZNLOEFQSAKKFGT-UHFFFAOYSA-N
SB13150
A857237
1-Cbz-2,3-dihydro-1H-pyrrole
N-Benzyloxycarbonyl-2,3-dihydropyrrole
N-Benzyloxycarbonyl-2,3-dihydropyrrole, 97%
BS-42783
1H-Pyrrole-1-carboxylic acid, 2,3-dihydro-, phenylmethyl ester
Cbz Pyrroline
DTXSID50454271
SY241595
benzyl 2,3-dihydropyrrole-1-carboxylate
1-Benzyloxycarbonyl-2,3-dihydropyrrole

MDL Number

MFCD20484343

FAQ

What are the physical and chemical properties of Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 68471-57-8)?

Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 68471-57-8) is a white crystalline solid with a molecular weight of approximately 230.27 g/mol. It is poorly soluble in water but soluble in organic solvents like methanol and acetonitrile. This compound has a moderate reactivity, especially towards nucleophilic substitution and condensation reactions.

How is Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 68471-57-8) typically synthesized?

Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 68471-57-8) can be synthesized via a multistep process involving the formation of a pyrrole followed by its coupling with benzyl chloride. The synthesis typically involves the use of acetic anhydride and catalysis by a strong base like sodium hydride. The overall yield is around 70-80%, and the process is selective and highly reproducible.

What industries use Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 68471-57-8)?

Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 68471-57-8) finds applications in the pharmaceutical industry for the synthesis of various drug intermediates. It is also used in the polymer industry for the modification of polymer properties and in the semiconductor industry for the production of functional materials.

What precautions should be taken when handling Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 68471-57-8)?

When handling Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate (CAS: 68471-57-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood during operations to minimize inhalation risk. Spills should be cleaned up using appropriate absorbent materials, and the area should be ventilated. Always consult the Safety Data Sheet (SDS) for detailed safety guidelines.