(1S,2R)-2-Aminocyclooctane-1-carboxylic acid

Base Information

• Chemical Name: (1S,2R)-2-Aminocyclooctane-1-carboxylic acid
• CAS No.: 791059-05-7
• Molecular Formula: C₉H₁₇NO₂
• Molecular Weight: 171.239
• DSSTox Substance ID: DTXSID50588722
• Nikkaji Number: J1.618.981B
• Mol file: 791059-05-7.mol

Synonyms:791059-05-7;(1S,2R)-2-Amino-cyclooctanecarboxylic acid;(1S,2R)-2-AMINOCYCLOOCTANE-1-CARBOXYLIC ACID;SCHEMBL4490110;DTXSID50588722;AKOS006280306;TS-7180;EN300-1091535;rac-(1R,2S)-2-aminocyclooctane-1-carboxylic acid

Chemical Property of (1S,2R)-2-Aminocyclooctane-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000118mmHg at 25°C
• Boiling Point: 312.2°C at 760 mmHg
• Flash Point: 142.6°C
• PSA: 63.32000
• Density: 1.058g/cm³
• LogP: 2.06900
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(C(CC1)C(=O)O)N
• Isomeric SMILES: C1CCC[C@H]([C@H](CC1)C(=O)O)N

Technology Process of (1S,2R)-2-Aminocyclooctane-1-carboxylic acid

There total 3 articles about (1S,2R)-2-Aminocyclooctane-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: 100.0%

tert-butyl (1S,2R)-2-aminocyclooctanecarboxylate (1137866-72-8) → (1S,2R)-2-amino-cyclooctanecarboxylic acid (791059-05-7)

Guidance literature:

With water; trifluoroacetic acid; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetasy.2008.12.018

Reference yield: 36.0%

cis-9-azabicyclo[6.2.0]decan-10-one → (1S,8R)-9-azabicyclo[6.2.0]decan-10-one + (1S,2R)-2-amino-cyclooctanecarboxylic acid (791059-05-7) + (1R,2S)-2-Amino-cyclooctanecarboxylic acid (522644-04-8,791059-05-7)

Guidance literature:

With immobilized lipase B from Candida antarctica; water; In di-isopropyl ether; at 60 ℃; for 170h; Title compound not separated from byproducts;

DOI:10.1021/ol034096o

Reference yield: 36.0%

cis-9-azabicyclo[6.2.0]decan-10-one → (1S,8R)-9-azabicyclo[6.2.0]decan-10-one + (1S,2R)-2-amino-cyclooctanecarboxylic acid (791059-05-7) + (1R,2S)-2-Amino-cyclooctanecarboxylic acid (522644-04-8,791059-05-7)

Guidance literature:

With immobilized lipase B from Candida antarctica; water; In di-isopropyl ether; at 60 ℃; for 170h; Title compound not separated from byproducts;

DOI:10.1021/ol034096o

upstream raw materials:

tert-butyl (1S,2R)-2-aminocyclooctanecarboxylate