1-(3-Aminopropyl)pyrrolidin-2-one

Base Information

• Chemical Name: 1-(3-Aminopropyl)pyrrolidin-2-one
• CAS No.: 7663-77-6
• Molecular Formula: C7H14 N2 O
• Molecular Weight: 142.201
• Hs Code.: 2933790090
• European Community (EC) Number: 231-632-7
• NSC Number: 108683
• DSSTox Substance ID: DTXSID80227455
• Nikkaji Number: J51.465I
• Wikidata: Q72441339
• Mol file: 7663-77-6.mol

Synonyms:isoputreamine lactam;N-(3-aminopropyl)pyrrolidin-2-one

Chemical Property of 1-(3-Aminopropyl)pyrrolidin-2-one

Chemical Property:

• Appearance/Colour: Clear Slightly Yellowish Liquid
• Refractive Index: n20/D 1.5(lit.)
• Boiling Point: 312°Cat760mmHg
• PKA: 9.85±0.10(Predicted)
• Flash Point: 132.4°C
• PSA: 46.33000
• Density: 1.06g/cm³
• LogP: 0.59580
• Storage Temp.: Refrigerator
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 142.110613074
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(3-Aminopropyl)-2-pyrrolidinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1)CCCN
• Uses: 1-(3-AMinopropyl)-2-pyrrolidinone can be used as a useful synthetic intermediate. N-(3-Aminopropyl)-2-pyrrolidinone was used in the simultaneous determination of total polyamines and three of their non?α? amino acid metabolites in urine by capillary gas-chromatographic method with nitrogen-phosphorus detection.

Technology Process of 1-(3-Aminopropyl)pyrrolidin-2-one

There total 10 articles about 1-(3-Aminopropyl)pyrrolidin-2-one 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: 98.0%

DBN (3001-72-7) → 1-(3-aminopropyl)-2-pyrrolidone (7663-77-6)

Guidance literature:

With water; at 85 ℃; for 12h;

Reference yield: 56.0%

→ 1-(3-aminopropyl)-2-pyrrolidone (7663-77-6) + Ethyl 7-(4-fluorobenzyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxylate + 1-(4-fluorophenyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2-dihydro-1,5-naphthyridine-3-carboxamide

Guidance literature:

Reference yield: 54.0%

→ 1-(3-aminopropyl)-2-pyrrolidone (7663-77-6) + 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-1-(2,2,2-trifluoroethyl)-1,2-dihydro-1,5-naphthyridine-3-carboxamide + ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydro-1,5-naphthyridine-3-carboxylate

Guidance literature:

upstream raw materials:

acrylonitrile

4-amino-n-butyric acid

carbon monoxide

N-allyl-1,3-diaminopropane

Refernces

• 1、 Hyde, Alan M.,Calabria, Ralph,Arvary, Rebecca,Wang, Xiao,Klapars, Artis. "Investigating the Underappreciated Hydrolytic Instability of 1,8-Diazabicyclo[5.4.0]undec-7-ene and Related Unsaturated Nitrogenous Bases". supporting information. p. 1860 - 1871. Retrieved 2019/10/11.
• 2、 Goncalves, Renato S.,Abdelnur, Patricia V.,Santos, Vanessa G.,Simas, Rosineide C.,Eberlin, Marcos N.,Magalhaes, Alvicler,Perez Gonzalez, Eduardo R.. "Synthesis of potentially bioactive PABA-related N-(aminoalkyl)lactamic amino acids and esters via selective SNAr reactions". experimental part. p. 197 - 204. Retrieved 2011/10/05.