cis-Tert-butyl 5-oxohexahydrocyclopenta[C]pyrrole-2(1H)-carboxylate

Base Information

• Chemical Name: cis-Tert-butyl 5-oxohexahydrocyclopenta[C]pyrrole-2(1H)-carboxylate
• CAS No.: 146231-54-1
• Molecular Formula: C12H19NO3
• Molecular Weight: 225.288
• Hs Code.: 2933998090
• European Community (EC) Number: 853-429-8
• Nikkaji Number: J1.831.375H
• Mol file: 146231-54-1.mol

Synonyms:146231-54-1;CIS-TERT-BUTYL 5-OXOHEXAHYDROCYCLOPENTA[C]PYRROLE-2(1H)-CARBOXYLATE;cis-5-Oxo-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester;(3aR,6aS)-tert-butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate;cis-5-Oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylic acid tert-butyl ester;tert-butyl (3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate;MFCD12198689;SCHEMBL372037;GGNDIMLSSMWKDR-DTORHVGOSA-N;BCP08382;tert-butyl cis-5-oxo-octahydrocyclopenta[c]pyrrole-2-carboxylate;WFA23154;AKOS025290414;tert-butyl (3aR,6aS)-5-oxo-octahydrocyclopenta[c]pyrrole-2-carboxylate;CS-W005946;DS-9038;AM803238;E73284;EN300-379485;A884544;(3aR,6aS)-tert-butyl 5-oxohexahydrocyclopenta[c]pyrrole-2 (1H)-carboxylate;CIS-TERT-BUTYL5-OXOHEXAHYDROCYCLOPENTA[C]PYRROLE-2(1H)-CARBOXYLATE;Tert-butyl (cis)-5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate;1,1-dimethylethyl (3aR,6aS)-5-oxo-hexahydrocyclopenta[c] pyrrole-2(1H)-carboxylate;1,1-dimethylethyl (3aR,6aS)-5-oxo-hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate;1,1-dimethylethyl(3aR,6aS)-5-oxo-hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate;tert-Butyl (3aR,6aS)-5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate, AldrichCPR;1173245-17-4;5-Oxo-3,3abeta,4,5,6,6abeta-hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylic acid tert-butyl ester

Chemical Property of cis-Tert-butyl 5-oxohexahydrocyclopenta[C]pyrrole-2(1H)-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.507
• Boiling Point: 325.759°C at 760 mmHg
• PKA: -0.82±0.20(Predicted)
• Flash Point: 150.814°C
• PSA: 46.61000
• Density: 1.14g/cm³
• LogP: 1.77030
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 225.13649347
• Heavy Atom Count: 16
• Complexity: 303

Purity/Quality:

98.0% ^*data from raw suppliers

(3aR,6aS)-tert-Butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC2CC(=O)CC2C1
• Isomeric SMILES: CC(C)(C)OC(=O)N1C[C@H]2CC(=O)C[C@H]2C1

Technology Process of cis-Tert-butyl 5-oxohexahydrocyclopenta[C]pyrrole-2(1H)-carboxylate

There total 18 articles about cis-Tert-butyl 5-oxohexahydrocyclopenta[C]pyrrole-2(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: 94.4%

di-tert-butyl dicarbonate (24424-99-5) + (3aR,6aS)-hexahydrocyclopenta[c]pyrrol-5(1H)-one (96896-09-2) → (3aR,6aS)-tert-butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate (146231-54-1)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 16h;

Reference yield: 90.0%

carbon monoxide (201230-82-2) + N-(tert-butoxycarbonyl)-N-allyl-3-amino-1-propyne (147528-20-9) → (3aR,6aS)-tert-butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate (146231-54-1)

Guidance literature:

With hydrogen; cobalt nanoparticles on charcoal; In tetrahydrofuran; at 130 ℃; for 18h; under 7600.51 Torr;

DOI:10.1021/ol0268889

Reference yield: 74.0%

dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + N-(tert-butoxycarbonyl)-N-allyl-3-amino-1-propyne (147528-20-9) → (3aR,6aS)-tert-butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate (146231-54-1)

Guidance literature:

In 1,2-dimethoxyethane; water; for 4h; Reflux;

DOI:10.1016/j.bmcl.2010.01.080

upstream raw materials:

tert-butyl (3aR,6aS)-5-methylene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate

carbon monoxide

N-(tert-butoxycarbonyl)-N-allyl-3-amino-1-propyne

N-tert-butoxycarbonylprop-2-en-1-amine

Downstream raw materials:

C₂₇H₄₀F₃N₃O₃

(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-5(1H)-one

tert-butyl (3aR,5r,6aS)-5-(aminomethyl)-5-fluorohexa-hydrocyclopenta[c]pyrrole-2(1H)-carboxylate

tert-butyl (cis-exo)-5-(benzylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

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