Bicyclo[2.2.2]octane-2-carboxylic acid

Base Information

• Chemical Name: Bicyclo[2.2.2]octane-2-carboxylic acid
• CAS No.: 29221-25-8
• Molecular Formula: C₉H₁₄O₂
• Molecular Weight: 154.209
• Hs Code.: 2916209090
• European Community (EC) Number: 622-445-5
• NSC Number: 108301
• DSSTox Substance ID: DTXSID70296211
• Nikkaji Number: J782.102F
• ChEMBL ID: CHEMBL1891261
• Mol file: 29221-25-8.mol

Synonyms:Bicyclo[2.2.2]octane-2-carboxylic acid;29221-25-8;Bicyclo[2.2.2]-octane-2-carboxylic acid;MLS002704048;BICYCLO(2.2.2)OCTANE-2-CARBOXYLIC ACID;Bicyclo[2.2.2]octane-2-carboxylic acid, (R)-;Bicyclo[2.2.2]octane-2-carboxylicacid;Maybridge1_002528;DivK1c_001280;SCHEMBL3466009;CHEMBL1891261;SCHEMBL23061770;HMS548K20;DTXSID70296211;PNKGHXVHKCJNBW-UHFFFAOYSA-N;MFCD00180648;NSC108301;AKOS022635260;AB86118;AB86340;AB86541;AT20750;NSC-108301;CDS1_000240;PD160475;PS-17542;SMR001570755;CS-0057891;EN300-105236;(1s,4s)-bicyclo[2.2.2]octane-2-carboxylic acid;(1R,2S,4R)-bicyclo[2.2.2]octane-2-carboxylic acid;(1S,2R,4S)-bicyclo[2.2.2]octane-2-carboxylic acid;Z1262512036

Chemical Property of Bicyclo[2.2.2]octane-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.00256mmHg at 25°C
• Boiling Point: 266°Cat760mmHg
• Flash Point: 123.7°C
• PSA: 37.30000
• Density: 1.14g/cm³
• LogP: 1.89730
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 154.099379685
• Heavy Atom Count: 11
• Complexity: 168

Purity/Quality:

99%min ^*data from raw suppliers

BICYCLO(2.2.2)OCTANE-2-CARBOXYLIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CCC1CC2C(=O)O

Technology Process of Bicyclo[2.2.2]octane-2-carboxylic acid

There total 4 articles about Bicyclo[2.2.2]octane-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:

→ Bicyclo<2,2,2>octan-2-carbonsaeure (29221-25-8)

Guidance literature:

With ethanol; nickel; Hydrogenation;

Reference yield:

→ Bicyclo<2,2,2>octan-2-carbonsaeure (29221-25-8)

Guidance literature:

With potassium hydroxide;

Reference yield:

2-Methylmercapto-bicyclo<2.2.2>octen-(5)-carbonsaeure-(2)-methylester (92076-13-6) → Bicyclo<2,2,2>octan-2-carbonsaeure (29221-25-8)

Guidance literature:

Multistep reaction; (i) Raney-Ni, MeOH, (ii) HCl, AcOH;

upstream raw materials:

2-Methylmercapto-bicyclo<2.2.2>octen-(5)-carbonsaeure-(2)-methylester

Downstream raw materials:

Bicyclo<2.2.2>octan-2-carbonsaeureanilid