Ethyl 2,4,5,6-tetrahydrocyclopenta[c]pyrrole-1-carboxylate

Base Information

• Chemical Name: Ethyl 2,4,5,6-tetrahydrocyclopenta[c]pyrrole-1-carboxylate
• CAS No.: 128812-35-1
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.21572
• DSSTox Substance ID: DTXSID30577391
• Nikkaji Number: J303.673A
• Wikidata: Q82467371
• Mol file: 128812-35-1.mol

Synonyms:128812-35-1;Ethyl 2,4,5,6-tetrahydrocyclopenta[c]pyrrole-1-carboxylate;ethyl 2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carboxylate;Cyclopenta[c]pyrrole-1-carboxylic acid, 2,4,5,6-tetrahydro-, ethyl ester;ETHYL 2H,4H,5H,6H-CYCLOPENTA[C]PYRROLE-1-CARBOXYLATE;SCHEMBL13977549;DTXSID30577391;MFCD12924739;BS-50949;CS-0529692;F75502

Chemical Property of Ethyl 2,4,5,6-tetrahydrocyclopenta[c]pyrrole-1-carboxylate

Chemical Property:

• PSA: 42.09000
• LogP: 1.68010
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

99%, ^*data from raw suppliers

2,4,5,6-tetrahydro-Cyclopenta[c]pyrrole-1-carboxylicacidethylester 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C2CCCC2=CN1

Technology Process of Ethyl 2,4,5,6-tetrahydrocyclopenta[c]pyrrole-1-carboxylate

There total 6 articles about Ethyl 2,4,5,6-tetrahydrocyclopenta[c]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: 86.0%

Ethyl isocyanoacetate (2999-46-4) + 1-cyclopenten-1-yl phenyl sulfone (64740-90-5) → ethyl 2,4,5,6-tetrahydrocyclopenta[c]pyrrole-1-carboxylate (128812-35-1)

Guidance literature:

Ethyl isocyanoacetate; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

1-cyclopenten-1-yl phenyl sulfone; In tetrahydrofuran; at 0 - 20 ℃; for 3.5h; Inert atmosphere;

Reference yield: 74.0%

Ethyl isocyanoacetate (2999-46-4) + 1-(cyclopent-1-en-1-ylsulfonyl)-4-methylbenzene (67963-04-6) → ethyl 2,4,5,6-tetrahydrocyclopenta[c]pyrrole-1-carboxylate (128812-35-1)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 1.5h; Cooling with ice;

Reference yield: 10.0%

{[2-Oxo-cyclopent-(Z)-ylidenemethyl]-amino}-acetic acid ethyl ester (128812-31-7) → ethyl 2,4,5,6-tetrahydrocyclopenta[c]pyrrole-1-carboxylate (128812-35-1)

Guidance literature:

With sodium ethanolate; In ethanol; for 3h; Heating;

DOI:10.1055/s-1990-26883

upstream raw materials:

{[2-Oxo-cyclopent-(Z)-ylidenemethyl]-amino}-acetic acid ethyl ester

2-formylcyclopentanone

Ethyl isocyanoacetate

1-cyclopenten-1-yl phenyl sulfone

Downstream raw materials:

3,4-propanopyrrole-2-carboxylic acid

C₁₀H₁₇NO₂

1-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole

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