(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid

Base Information

• Chemical Name: (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid
• CAS No.: 926276-11-1
• Molecular Formula: C8H13NO2
• Molecular Weight: 155.197
• DSSTox Substance ID: DTXSID10585631
• Wikidata: Q27449805
• Mol file: 926276-11-1.mol

Synonyms:(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid;926276-11-1;(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid;SCHEMBL2412292;DTXSID10585631;(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylicacid;MFCD10688341;AKOS016005118;AC-24665;PS-16330;CS-0054295;Q27449805;rel (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid

Chemical Property of (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid

Chemical Property:

• Boiling Point: 304 oC
• Flash Point: 138 oC
• PSA: 49.33000
• Density: Boiling point
• LogP: 0.78790
• Storage Temp.: 2-8°C
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.094628657
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CNC(C2C1)C(=O)O
• Isomeric SMILES: C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O

Technology Process of (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid

There total 23 articles about (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid 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: 94.0%

(1S,3aR,6aS)-methyl octahydrocyclopenta[c]pyrrole-1-carboxylate → (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid (926276-11-1,791572-14-0,89077-07-6,270902-48-2,96844-76-7)

Guidance literature:

(1S,3aR,6aS)-methyl octahydrocyclopenta[c]pyrrole-1-carboxylate; With hydrogenchloride; water; for 12h; Inert atmosphere; Reflux;

With potassium carbonate; In methanol; Inert atmosphere;

DOI:10.1021/acs.orglett.1c00387

Reference yield: 90.0%

C15H19NO2 (1414976-36-5) → (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid (926276-11-1,791572-14-0,89077-07-6,270902-48-2,96844-76-7)

Guidance literature:

With 20% palladium hydroxide-activated charcoal; hydrogen; In methanol; at 30 ℃; for 2h; under 3750.38 Torr;

Reference yield:

(1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carbonitrile (1205676-37-4,1227703-50-5) → (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid (926276-11-1,791572-14-0,89077-07-6,270902-48-2,96844-76-7)

Guidance literature:

(1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carbonitrile; With hydrogenchloride; water; Reflux;

In water;

DOI:10.1002/anie.200906655

upstream raw materials:

C₁₃H₂₁NO₄

(1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carbonitrile

C₉H₁₇NO₂

C₁₆H₂₃NO₂

Downstream raw materials:

tert-butyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate

(1S,3aR,6aS)-2-(tert-butoxycarbonyl)octahydrocyclo-penta[c]pyrrole-1-carboxylic acid