1-Pyrrolidinepropionic acid, ethyl ester

Base Information

• Chemical Name: 1-Pyrrolidinepropionic acid, ethyl ester
• CAS No.: 6317-35-7
• Molecular Formula: C9H17 N O2
• Molecular Weight: 171.239
• Hs Code.: 2933990090
• European Community (EC) Number: 228-653-9
• NSC Number: 41704
• UNII: UG0X5TJ55Y
• DSSTox Substance ID: DTXSID80212508
• Nikkaji Number: J51.093I
• Wikidata: Q83087653
• Mol file: 6317-35-7.mol

Synonyms:6317-35-7;ethyl 3-pyrrolidin-1-ylpropanoate;ethyl 3-(pyrrolidin-1-yl)propanoate;1-Pyrrolidinepropionic acid, ethyl ester;Ethyl pyrrolidine-1-propionate;1-Pyrrolidinepropanoic acid, ethyl ester;Ethyl 1-pyrrolidinepropionate;EINECS 228-653-9;NSC 41704;BRN 0123266;UG0X5TJ55Y;Propionic acid, 3-(pyrrolidin-1-yl)-, ethyl ester;NSC-41704;5-20-01-00350 (Beilstein Handbook Reference);sodiumstearylfumarate;UNII-UG0X5TJ55Y;WLN: T5NTJ A2VO2;SCHEMBL8735577;DTXSID80212508;ethvl 3-(N-pyrrolidinyl)propionate;NSC41704;MFCD00020861;STK503529;AKOS000321471;1-Pyrrolidinepropionic acid ethyl ester;MB00294;LS-02115;ETHYL3-(PYRROLIDIN-1-YL)PROPANOATE;LS-138191;BB 0240884;FT-0679135;3-Pyrrolidin-1-yl-propionic acid ethyl ester;EN300-44843;Z53116274

Chemical Property of 1-Pyrrolidinepropionic acid, ethyl ester

Chemical Property:

• Vapor Pressure: 0.0423mmHg at 25°C
• Boiling Point: 238.5°C at 760 mmHg
• Flash Point: 88.4°C
• PSA: 29.54000
• Density: 1.005g/cm³
• LogP: 0.97330
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

98%min ^*data from raw suppliers

ethyl3-pyrrolidin-1-ylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCN1CCCC1

Technology Process of 1-Pyrrolidinepropionic acid, ethyl ester

There total 4 articles about 1-Pyrrolidinepropionic acid, ethyl ester 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: 96.0%

pyrrolidine (123-75-1) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 3-tetrahydro-1H-1-pyrrolilpropanoate (6317-35-7)

Guidance literature:

for 3h; Heating;

Reference yield:

ethyl 3-oxo-3-(pyrrolidin-1-yl)propanoate (35247-24-6) → ethyl 3-tetrahydro-1H-1-pyrrolilpropanoate (6317-35-7) + ethyl (E)-3-(pyrrolidin-1-yl)acrylate (65651-80-1)

Guidance literature:

With bis(triphenylphosphine)carbonyliridium(I) chloride; 1,1,3,3-Tetramethyldisiloxane; In toluene; at 20 ℃; for 1h; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2018.12.024

Reference yield:

pyrrolidine (123-75-1) + ethyl 3-chloropropanoate (623-71-2) → ethyl 3-tetrahydro-1H-1-pyrrolilpropanoate (6317-35-7)

Guidance literature:

DOI:10.1016/j.ejmech.2011.03.003

upstream raw materials:

pyrrolidine

ethyl acrylate

ethyl 3-chloropropanoate

ethyl 3-oxo-3-(pyrrolidin-1-yl)propanoate

Downstream raw materials:

Pyrrinol

N-(3,3-diphenylallyl)pyrrolidine

1-(3-hydroxy-3,3-diphenyl-propyl)-1-methyl-pyrrolidinium; iodide

N'-{2-[(2-nitrophenyl)thio]phenyl}-3-(pyrrolidin-1-yl)propanehydrazide

Refernces

• 1、 Junquera, Lourdes Benítez,Fernández, Francys E.,Puerta, M. Carmen,Valerga, Pedro. "Nickel(II) N-Heterocyclic Carbene Complexes: Versatile Catalysts for C–C, C–S and C–N Coupling Reactions". supporting information. p. 2547 - 2556. Retrieved 2017/05/29.
• 2、 Khan, Abu T.,Parvin, Tasneem,Gazi, Sarifuddin,Choudhury, Lokman H.. "Bromodimethylsulfonium bromide mediated Michael addition of amines to electron deficient alkenes". . p. 3805 - 3808. Retrieved 2008/02/06.