Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester
• CAS No.: 879686-42-7
• Molecular Formula: C12H19NO3
• Molecular Weight: 225.288
• Hs Code.: 2933990090
• Mol file: 879686-42-7.mol

Synonyms:4-Oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester;

Chemical Property of Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester

Chemical Property:

• Boiling Point: 325.8±25.0 °C(Predicted)
• PKA: -0.87±0.20(Predicted)
• PSA: 46.61000
• Density: 1.139±0.06 g/cm3(Predicted)
• LogP: 1.77030

Purity/Quality:

98%min ^*data from raw suppliers

tert-butyl4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester

There total 2 articles about Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester 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: 98.0%

7-Benzyl-2-oxo-7-azabicyclo[3.3.0]octane (185692-51-7) + di-tert-butyl dicarbonate (24424-99-5) → 4-oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester (879686-42-7,130658-14-9)

Guidance literature:

With hydrogen; Pearlman's catalist; In ethanol; for 20h; under 2585.81 Torr;

Reference yield: 54.0%

hexahydrocyclopenta[c]pyrrol-4(5H)-one hydrochloride (127430-46-0) + di-tert-butyl dicarbonate (24424-99-5) → 4-oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester (879686-42-7,130658-14-9)

Guidance literature:

With sodium hydrogencarbonate; In water; acetone; at 20 ℃; for 1h;

Reference yield: 87.0%

4-oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester (879686-42-7,130658-14-9) + benzylamine (100-46-9) → tert-butyl 4-(benzylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; In dichloromethane; at 20 ℃; for 18h;

upstream raw materials:

hexahydrocyclopenta[c]pyrrol-4(5H)-one hydrochloride

di-tert-butyl dicarbonate

7-Benzyl-2-oxo-7-azabicyclo[3.3.0]octane

Downstream raw materials:

tert-butyl 4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

tert-butyl 4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

Refernces

• 1、 -. "TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS". Page/Page column 25. . Retrieved 2008/06/13.