Ethyl pyrrolidine-1-carboxylate

Base Information

• Chemical Name: Ethyl pyrrolidine-1-carboxylate
• CAS No.: 5470-26-8
• Molecular Formula: C7H13 N O2
• Molecular Weight: 143.186
• Hs Code.: 2933990090
• European Community (EC) Number: 226-800-1
• NSC Number: 26297
• DSSTox Substance ID: DTXSID30970000
• Nikkaji Number: J210.548I
• Wikidata: Q82953076
• Mol file: 5470-26-8.mol

Synonyms:Ethyl pyrrolidine-1-carboxylate;5470-26-8;EINECS 226-800-1;N-Carbethoxypyrrolidine;1-ethoxycarbonylpyrrolidine;SCHEMBL2223429;SCHEMBL10518695;Ethyl 1-pyrrolidinecarboxylate #;DTXSID30970000;NSC26297;NSC 26297;NSC-26297;AKOS003871737;1-Pyrrolidinecarboxylicacid,ethyl ester;1-Pyrrolidinecarboxylic acid ethyl ester;pyrrolidine-1-carboxylic acid ethyl ester

Chemical Property of Ethyl pyrrolidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 7.52E-07mmHg at 25°C
• Boiling Point: 195.8°Cat760mmHg
• Flash Point: 72.2°C
• PSA: 29.54000
• Density: 1.069g/cm³
• LogP: 1.17660
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCCC1

Technology Process of Ethyl pyrrolidine-1-carboxylate

There total 16 articles about Ethyl pyrrolidine-1-carboxylate 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: 97.0%

pyrrolidine (123-75-1) + chloroformic acid ethyl ester (541-41-3) → ethyl pyrrolidine-1-carboxylate (5470-26-8)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; for 4h; Cooling with ice;

DOI:10.3390/molecules16075963

Reference yield: 95.0%

pyrrolidine (123-75-1) + carbonic acid ethyl ester-isopropenyl ester (63436-79-3) → ethyl pyrrolidine-1-carboxylate (5470-26-8)

Guidance literature:

at 55 ℃; for 6h;

DOI:10.1021/jo01310a057

Reference yield: 92.0%

pyrrolidine (123-75-1) + 2-bromocyclohept-2-en-1-yl ethyl carbonate (97861-69-3) → ethyl pyrrolidine-1-carboxylate (5470-26-8) + 2-bromocyclohept-2-en-1-ol (96725-20-1)

Guidance literature:

DOI:10.1021/jo00220a043

upstream raw materials:

pyrrolidine

Ethyl trichloroacetate

ethyl 1H-pyrrole-1-carboxylate

S-(ethoxycarbonyl) O-ethyl dithiocarbonate

Downstream raw materials:

ethyl 2-oxopyrrolidine-1-carboxylate

1-pyrrolidinecarbonyl chloride

pyrrolidine

n-Butoxycarbonyl-1-pyrrolidine

Refernces

• 1、 Bornemann, Steven,Handy, Scott T.. "Synthetic organic electrochemistry in ionic liquids: The viscosity question". experimental part. p. 5963 - 5974. Retrieved 2011/09/13.
• 2、 Krupinska,Piotrowicz,Cebo,Stypula,Bronisz,Bobranski,Stankiewicz. "N-substituted urethanes as potential antiinflammatory agents". . p. 581 - 588. Retrieved 2007/10/02.