(2R,3aR,6aR)-octahydrocyclopenta[b]pyrrole-2-carboxylic acid

Base Information

• Chemical Name: (2R,3aR,6aR)-octahydrocyclopenta[b]pyrrole-2-carboxylic acid
• CAS No.: 87679-21-8
• Molecular Formula: C₈H₁₃NO₂
• Molecular Weight: 155.197
• DSSTox Substance ID: DTXSID20356298
• Nikkaji Number: J582.102I
• Mol file: 87679-21-8.mol

Synonyms:2-azabicyclo(3.3.0)octane-3-carboxylic acid;ABO-COOH

Chemical Property of (2R,3aR,6aR)-octahydrocyclopenta[b]pyrrole-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: >180°C (dec.)
• Refractive Index: 1.518
• Boiling Point: 304.333°C at 760 mmHg
• Flash Point: 137.856°C
• PSA: 49.33000
• Density: 1.183g/cm³
• LogP: 0.93040
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• XLogP3: -1.6
• 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:

99% ^*data from raw suppliers

(1R,3S,5R)-2-Azabicyclo[3.3.0]octane-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC(NC2C1)C(=O)O
• Isomeric SMILES: C1C[C@@H]2C[C@@H](N[C@@H]2C1)C(=O)O

Technology Process of (2R,3aR,6aR)-octahydrocyclopenta[b]pyrrole-2-carboxylic acid

There total 3 articles about (2R,3aR,6aR)-octahydrocyclopenta[b]pyrrole-2-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: 74.0%

(2R,3aS,6aR)-1-Acetyl-octahydro-cyclopenta[b]pyrrole-2-carbonitrile (87623-98-1,88585-95-9,89299-92-3,89299-93-4,110549-38-7,110549-39-8) → (2S,3aR,6aS)-Octahydro-cyclopenta[b]pyrrole-2-carboxylic acid (87679-21-8,87679-60-5,88547-76-6,88547-86-8,93381-12-5,96844-79-0,105307-53-7,109428-53-7,118353-96-1,121154-36-7,128900-19-6,411232-21-8,726691-28-7)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/S0040-4039(00)87864-8

Reference yield:

N-[(1S,2R)-2-(2-Chloro-2-cyano-ethyl)-cyclopentyl]-acetamide (89226-36-8) → (2S,3aR,6aS)-Octahydro-cyclopenta[b]pyrrole-2-carboxylic acid (87679-21-8,87679-60-5,88547-76-6,88547-86-8,93381-12-5,96844-79-0,105307-53-7,109428-53-7,118353-96-1,121154-36-7,128900-19-6,411232-21-8,726691-28-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / dimethylformamide / 0 °C

2: 74 percent / 5N HCl / Heating

With hydrogenchloride; sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(00)87864-8

Reference yield:

cyclopentene (142-29-0) → (2S,3aR,6aS)-Octahydro-cyclopenta[b]pyrrole-2-carboxylic acid (87679-21-8,87679-60-5,88547-76-6,88547-86-8,93381-12-5,96844-79-0,105307-53-7,109428-53-7,118353-96-1,121154-36-7,128900-19-6,411232-21-8,726691-28-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) mercuric nitrate, sodium chloride 2.) sodium borohydride / 2.) ethanol, from-15 deg C to 15 deg C

2: NaH / dimethylformamide / 0 °C

3: 74 percent / 5N HCl / Heating

With hydrogenchloride; sodium tetrahydroborate; sodium hydride; mercury(II) nitrate; sodium chloride; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(00)87864-8

upstream raw materials:

(2R,3aS,6aR)-1-Acetyl-octahydro-cyclopenta[b]pyrrole-2-carbonitrile

N-[(1S,2R)-2-(2-Chloro-2-cyano-ethyl)-cyclopentyl]-acetamide

cyclopentene

Downstream raw materials:

methyl N-methyl-(1SR,3SR,5SR)-2-azabicyclo<3.3.0>octane-3-carboxylate

benzyl (1R^*,3R^*,5R^*)-2-azabicyclo<3.3.0>octane-3-carboxylate

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