1-Ethylpyrrolidine

Base Information

• Chemical Name: 1-Ethylpyrrolidine
• CAS No.: 7335-06-0
• Molecular Formula: C6H13N
• Molecular Weight: 99.1759
• Hs Code.: 2933990090
• European Community (EC) Number: 230-840-5
• DSSTox Substance ID: DTXSID00223595
• Nikkaji Number: J212.332K
• Wikidata: Q83102056
• Mol file: 7335-06-0.mol

Synonyms:1-Ethylpyrrolidine;N-Ethylpyrrolidine;7335-06-0;Pyrrolidine, 1-ethyl-;N-ethyl-Tetrahydropyrrole;EINECS 230-840-5;1-ethyl-pyrrolidine;1-Ethylpyrrolidine, 97%;DTXSID00223595;BCP07071;MFCD01632186;AKOS015898246;E0510;FT-0651974;F17079;A837800;1021868-94-9

Chemical Property of 1-Ethylpyrrolidine

Chemical Property:

• Vapor Pressure: 31.4mmHg at 25°C
• Melting Point: 102-104 °C
• Refractive Index: 1.446
• Boiling Point: 104 °C at 760 mmHg
• PKA: pK1:10.43(+1) (25°C)
• Flash Point: 1.6 °C
• PSA: 3.24000
• Density: 0.845 g/cm³
• LogP: 1.04000
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 99.104799419
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

97% ^*data from raw suppliers

1-Ethylpyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 10-34-11
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN1CCCC1

Technology Process of 1-Ethylpyrrolidine

There total 29 articles about 1-Ethylpyrrolidine 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: 99.0%

pyrrolidine (123-75-1) + ethanol (64-17-5) → 1-ethylpyrrolidine (7335-06-0)

Guidance literature:

With Ru on activatedcarbon cloth; activatedcarbon cloth; In aq. phosphate buffer; at 60 ℃; for 10h; pH=8.5; Time; Electrochemical reaction;

DOI:10.1039/c9gc03747k

Reference yield: 89.0%

Phenothiazine-10-carboxylic acid 4-diethylamino-butyl ester (72332-01-5) → 1-ethylpyrrolidine (7335-06-0) + 10H-phenothiazine (92-84-2)

Guidance literature:

at 200 ℃; for 0.5h; Yields of byproduct given;

DOI:10.1021/jo01292a048

Reference yield: 86.0%

1-ethyl-2-pyrrolidinone (2687-91-4) → 1-ethylpyrrolidine (7335-06-0)

Guidance literature:

1-ethyl-2-pyrrolidinone; With bis(cyclopentadienyl)dihydrozirconium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; at 20 ℃; Glovebox; Inert atmosphere;

With hydrogenchloride; In diethyl ether; water; for 2h; Glovebox; Inert atmosphere;

DOI:10.1016/S1872-2067(21)63853-6

upstream raw materials:

tetrahydrofuran

ethylamine

pyrrolidine

ethyl acetate

Downstream raw materials:

2,4-dichloroquinazoline

4-chloro-2-(N-ethyl-4-chlorobutylamino)quinazoline

1-(4-nitro-phenyl)-pyrrolidine

2-ethyl-1H-pyrrole

Refernces

• 1、 Han, Bo,Jiao, Haijun,Wu, Lipeng,Zhang, Jiong. "Zirconium-hydride-catalyzed site-selective hydroboration of amides for the synthesis of amines: Mechanism, scope, and application". . p. 2059 - 2067. Retrieved 2021/09/02.
• 2、 Appiagyei, Benjamin,Bhatia, Souful,Keeney, Gabriela L.,Dolmetsch, Troy,Jackson, James E.. "Electroactivated alkylation of amines with alcohols: Via both direct and indirect borrowing hydrogen mechanisms". supporting information. p. 860 - 869. Retrieved 2020/02/21.