Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate

Base Information

• Chemical Name: Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate
• CAS No.: 6972-81-2
• Molecular Formula: C7H11 N O2
• Molecular Weight: 141.17
• NSC Number: 62593
• DSSTox Substance ID: DTXSID30289649
• Nikkaji Number: J2.703.732A
• Wikidata: Q82027051
• Mol file: 6972-81-2.mol

Synonyms:ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate;6972-81-2;3-pyrroline-1-ethylcarboxylate;NSC62593;ethyl 2,5-dihydropyrrole-1-carboxylate;NCIOpen2_000207;DTXSID30289649;NSC-62593;AKOS027384111;ethyl2,5-dihydro-1h-pyrrole-1-carboxylate

Chemical Property of Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.428mmHg at 25°C
• Boiling Point: 195°C at 760 mmHg
• Flash Point: 71.8°C
• PSA: 29.54000
• Density: 1.109g/cm³
• LogP: 0.95260
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 141.078978594
• Heavy Atom Count: 10
• Complexity: 146

Purity/Quality:

Ethyl2,5-dihydro-1H-pyrrole-1-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CC=CC1

Technology Process of Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate

There total 2 articles about Ethyl 2,5-dihydro-1h-pyrrole-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: 93.0%

N,N-diallyl ethyl carbamate (60728-51-0) → ethyl 2,5-dihydro-1H-pyrrole-1-carboxylate (6972-81-2)

Guidance literature:

With C₃₅H₃₉Cl₂N₃Ru; In toluene; at 50 ℃; for 0.25h; Reagent/catalyst; Concentration; Catalytic behavior; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201201010

Reference yield: 70.0%

3-Pyrroline (109-96-6,760178-50-5) + chloroformic acid ethyl ester (541-41-3) → ethyl 2,5-dihydro-1H-pyrrole-1-carboxylate (6972-81-2)

Guidance literature:

With triethylamine; In diethyl ether; at 0 ℃; for 1h;

Reference yield: 73.0%

ethyl 2,5-dihydro-1H-pyrrole-1-carboxylate (6972-81-2) → 3-Pyrroline (109-96-6,760178-50-5)

Guidance literature:

With methyllithium; lithium bromide; In tetrahydrofuran; at 0 ℃; for 1h;

upstream raw materials:

3-Pyrroline

chloroformic acid ethyl ester

N,N-diallyl ethyl carbamate

Downstream raw materials:

3-Pyrroline

C₁₄H₁₇NO₃

C₁₄H₁₅NO₃

C₁₃H₁₄N₂O₄