N-Acetylpyrrolidine

Base Information

• Chemical Name: N-Acetylpyrrolidine
• CAS No.: 4030-18-6
• Molecular Formula: C6H11NO
• Molecular Weight: 113.159
• Hs Code.: 2933990090
• UNII: MBF6ZG2B0A
• DSSTox Substance ID: DTXSID50193315
• Nikkaji Number: J110.457H
• Wikidata: Q27283807
• ChEMBL ID: CHEMBL11982
• Mol file: 4030-18-6.mol

Synonyms:1-Acetylpyrrolidine;N-Acetylpyrrolidine;4030-18-6;1-(pyrrolidin-1-yl)ethanone;Pyrrolidine, 1-acetyl-;1-pyrrolidin-1-ylethanone;1-Pyrrolidin-1-yl-ethanone;UNII-MBF6ZG2B0A;MBF6ZG2B0A;Ethanone, 1-(pyrrolidinyl)-;Acetylpyrrolidine;N-Acetypyrrolidine;1-acetyl-pyrrolidine;MFCD00014096;Pyrrolidine, N-acetyl;N-Acetylpyrrolidine, Pract.;SCHEMBL23106;CHEMBL11982;DTXSID50193315;1-(pyrrolidin-1-yl)ethan-1-one;AKOS003865658;FS-5175;CS-0055117;FT-0629851;A825044;Q27283807

Chemical Property of N-Acetylpyrrolidine

Chemical Property:

• Vapor Pressure: 0.176mmHg at 25°C
• Refractive Index: 1.474
• Boiling Point: 212.1 °C at 760 mmHg
• PKA: -0.41±0.20(Predicted)
• Flash Point: 90.8 °C
• PSA: 20.31000
• Density: 1.019 g/cm³
• LogP: 0.56660
• Water Solubility.: Soluble in water
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 94.7

Purity/Quality:

97% ^*data from raw suppliers

1-Acetylpyrrolidine ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCCC1
• Uses: 1-Acetylpyrrolidine is a useful reagent for the synthesis of disubstituted multifunctional indenes.

Technology Process of N-Acetylpyrrolidine

There total 64 articles about N-Acetylpyrrolidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

pyrrolidine (123-75-1) + ethyl 2,4-dinitrophenylacetoacetate (124089-63-0) → N-(acetyl)pyrrolidine (4030-18-6) + α-(2,4-dinitrophenyl)ethyl acetate (68084-17-3)

Guidance literature:

In chloroform; at 20 ℃; for 24h;

DOI:10.1021/jo0344642

Reference yield: 100.0%

pyrrolidine (123-75-1) + 1,1-Diphenyl-2-brom-3-acetoxy-1-propen (14310-15-7) → N-(acetyl)pyrrolidine (4030-18-6) + 2-bromo-3,3-diphenyl-2-propen-1-ol (97861-65-9)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; at 80 ℃;

DOI:10.1021/jo00220a043

Reference yield: 99.0%

pyrrolidine (123-75-1) + vinyl acetate (108-05-4,9003-20-7) → N-(acetyl)pyrrolidine (4030-18-6)

Guidance literature:

With Cp*2Sm(THF)2; In toluene; Ambient temperature;

DOI:10.1021/jo952168m

upstream raw materials:

tetrahydrofuran

acetamide

pyrrolidine

2-methoxyphenyl acetate

Downstream raw materials:

methyl orsellinate

1-<(5E)-6,10-Dimethyl-1-oxo-5,9-undecadienyl>pyrrolidine

(R)-2-(p-tolylsulfinyl)-1-(pyrrolidin-1-yl)ethanone

2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester