3,3-Dimethylbicyclo[2.2.1]heptane-2-carboxylic acid

Base Information

• Chemical Name: 3,3-Dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
• CAS No.: 52557-98-9
• Molecular Formula: C10H16 O2
• Molecular Weight: 168.236
• Hs Code.: 2916209090
• European Community (EC) Number: 207-480-2,258-006-6,207-479-7
• NSC Number: 239115
• DSSTox Substance ID: DTXSID60886009
• Nikkaji Number: J295.695K
• Mol file: 52557-98-9.mol

Synonyms:52557-98-9;3,3-Dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;EINECS 258-006-6;Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-;EINECS 207-479-7;EINECS 207-480-2;NSC 239115;474-10-2;Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-;exo-3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acid;474-09-9;3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acid;endo-3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acid;exo-3,3-Dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;NSC239115;endo-3,3-Dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylicacid;SCHEMBL6551752;DTXSID60886009;CCA55798;AKOS033205319;NSC-239115;EN300-814450;6,6-Dimethylbicyclo[2.2.1]heptane-5-carboxylic acid;3,3-Dimethylbicyclo[2.2.1]heptane-2-carboxylic acid #;3.3-Dimethylbicyclo-[2.2.1]-heptane-2-carboxylic acid;Z1262511487

Chemical Property of 3,3-Dimethylbicyclo[2.2.1]heptane-2-carboxylic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.14330
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC(C2)C1C(=O)O)C

Technology Process of 3,3-Dimethylbicyclo[2.2.1]heptane-2-carboxylic acid

There total 6 articles about 3,3-Dimethylbicyclo[2.2.1]heptane-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: 59.0%

camphene (79-92-5) → 3,3-dimethyl-norbornane-2-carboxylic acid (52557-98-9)

Guidance literature:

With cobalt; oxygen; isobutyraldehyde; In acetonitrile;

DOI:10.1016/S0040-4020(97)00432-8

Reference yield: 52.0%

Camphene epoxide (875-03-6,62318-94-9,69685-54-7,69685-55-8,90365-31-4,481660-32-6) → 3,3-Dimethylbicyclo<2.2.1>heptan-2-one (50896-19-0) + 3,3-Dimethylbicyclo<2.2.1>heptan-2-carboxylic acid (474-09-9,474-10-2,52557-98-9,67518-96-1,67518-98-3,67519-00-0,85506-67-8)

Guidance literature:

With jones' reagent; In acetone; at 15 - 20 ℃; for 0.5h;

Reference yield:

3,3-Dimethylacryloyl chloride (3350-78-5) + 6,6-dimethylbicyclo(2.2.1)hept-2-ene-5-carbonyl chloride (84473-81-4) + bi(cyclopentadiene) (77-73-6,933-60-8,1755-01-7,25038-78-2) → 3,3-dimethyl-norbornane-2-carboxylic acid (52557-98-9) + 6,6-dimethyl-bicyclo[2.2.1]hept-2-ene-5-carboxylic acid

Guidance literature:

With potassium hydroxide; In argon;

upstream raw materials:

camphene

3,3-Dimethylacryloyl chloride

6,6-dimethylbicyclo(2.2.1)hept-2-ene-5-carbonyl chloride

bi(cyclopentadiene)

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