Ethyl hexahydropyrrolo[3,4-B]pyrrole-5(1H)-carboxylate

Base Information

• Chemical Name: Ethyl hexahydropyrrolo[3,4-B]pyrrole-5(1H)-carboxylate
• CAS No.: 132414-79-0
• Molecular Formula: C9H16N2O2
• Molecular Weight: 184.24
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30598081
• Mol file: 132414-79-0.mol

Synonyms:132414-79-0;ETHYL HEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE;5-ETHOXYCARBONYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE;ethyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate;Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-, ethyl ester;894854-14-9;Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-, ethyl ester, (3aR,6aR)-rel-;cis-Ethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate;SCHEMBL2409560;DTXSID30598081;SULDDMOQJXWUNO-UHFFFAOYSA-N;MFCD11656759;MFCD11656773;MFCD12036040;AKOS015950598;LS-13679;SY004080;SY006516;SY224409;DB-012749;CS-0200114;A909334;Ethyl 2,7-diazabicyclo[3.3.0]octane-7-carboxylate;ETHYLHEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE

Chemical Property of Ethyl hexahydropyrrolo[3,4-B]pyrrole-5(1H)-carboxylate

Chemical Property:

• Vapor Pressure: 0.00465mmHg at 25°C
• Refractive Index: 1.499
• Boiling Point: 277°C at 760 mmHg
• Flash Point: 121.3°C
• PSA: 41.57000
• Density: 1.122g/cm³
• LogP: 0.97260
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 184.121177757
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

Ethylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CC2CCNC2C1

Technology Process of Ethyl hexahydropyrrolo[3,4-B]pyrrole-5(1H)-carboxylate

There total 3 articles about Ethyl hexahydropyrrolo[3,4-B]pyrrole-5(1H)-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:

ethyl 1-((R)-1-phenyl-ethyl)-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate (948846-55-7) → ethyl hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate (132414-79-0,894854-14-9)

Guidance literature:

With hydrogen; 5% palladium hydroxide on activated carbon; In methanol; at 50 ℃; for 4h; under 2068.65 Torr;

Reference yield:

ethyl 1-benzyl-octahydropyrrolo[2,3-c]pyrrole-5-carboxylate (132414-78-9,894853-99-7) → ethyl hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate (132414-79-0,894854-14-9)

Guidance literature:

palladium/active carbon; In ethanol;

Reference yield:

palladium-active carbon + ethyl 1-benzyl-octahydropyrrolo[2,3-c]pyrrole-5-carboxylate (132414-78-9,894853-99-7) → ethyl hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate (132414-79-0,894854-14-9)

Guidance literature:

In ethanol;

upstream raw materials:

ethyl 1-benzyl-octahydropyrrolo[2,3-c]pyrrole-5-carboxylate

ethyl 1-((R)-1-phenyl-ethyl)-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate

Downstream raw materials:

2-Oxa-2,7-diazabicyclo[3.3.0]octane

ABT-288

ethyl (3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

ethyl (3aR,6aR)-1-(4'-bromo-1,1'-biphenyl-4-yl)hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate