377112

3-Pyrroline

95%

• Synonym(s): 2,5-Dihydropyrrole
• Empirical Formula (Hill Notation): C₄H₇N
• CAS Number: 109-96-6
• Molecular Weight: 69.11
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24863493
• EC Number: 203-723-1
• Beilstein/REAXYS Number: 103173
• MDL number: MFCD00005213
• Assay: 95%
• Form: liquid

Properties

• Quality Segment: 100
• assay: 95%
• form: liquid
• refractive index: n20/D 1.46 (lit.)
• bp: 90-91 °C/748 mmHg (lit.)
• density: 0.91 g/mL at 25 °C (lit.)
• storage temp.: −20°C
• SMILES string: C1NCC=C1
• InChI: 1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2
• InChI key: JVQIKJMSUIMUDI-UHFFFAOYSA-N

Description

General description

3-Pyrroline is a heterocyclic building block. The excited state dynamics of 3-pyrroline by Hamiltonian model based on the vibronic coupling model has been investigated. Trifluoromethylated azomethine ylide is reported as precursor for the synthesis of 3-pyrroline building blocks. 3-Pyrrolines are reported as highly useful intermediates for the synthesis of functionalized pyrrolines, pyrrolidines and other natural products. Preparation of 3-pyrroline(2,5-dihydro-1H-pyrrole) from (Z)-1,4-dichloro-2-butene, via Delépine Reaction has been reported. It is formed as intermediate in the synthesis of N-(tert-butyloxycarbonyl)-3-pyrroline. Reaction of Me₃Al and Me₃Ga with 3-pyrroline is reported.

Various 3-pyrrolines (2,5-dihydropyrroles) have been synthesized by two-step reaction sequence of alkylation/alkylidene carbene CH-insertion reaction. Synthesis of 3-pyrroline has been reported by employing cis-1,4-dichloro-2-butene as starting reagent.

Application

3-Pyrroline is suitable for use in a study to investigate the core-level binding energies of simple unsaturated organic molecules bonded to the Si(001) surface by X-ray photoelectron spectroscopy (XPS). It may be used in the synthesis of renin inhibitors and vasodilators.

Disclaimer

Supply conditions do not apply to the regions and states of Brazil: North, Northeast, Mato Grosso do Sul, Mato Grosso, and Rio Grande do Sul.

Safety Information

• Pictograms: GHS02,GHS05,GHS07
• Signal Word: Danger
• Hazard Codes: H225,H302 + H332,H314
• Precautionary Statements: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2 - Skin Corr. 1A
• Storage Class: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point (°F): -0.4 °F - closed cup
• Flash Point (°C): -18 °C - closed cup
• PPE (personal protective equipment): Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter