3,3-Dimethylbicyclo[2.2.1]heptane-2-carbonyl chloride

Base Information

• Chemical Name: 3,3-Dimethylbicyclo[2.2.1]heptane-2-carbonyl chloride
• CAS No.: 61175-88-0
• Molecular Formula: C₁₀H₁₅ClO
• Molecular Weight: 186.681
• European Community (EC) Number: 262-638-8,287-217-6
• DSSTox Substance ID: DTXSID10976681
• Nikkaji Number: J333.176H
• Mol file: 61175-88-0.mol

Synonyms:61175-88-0;85440-78-4;3,3-dimethylbicyclo[2.2.1]heptane-2-carbonyl chloride;exo-3,3-dimethylbicyclo[2.2.1]heptane-2-carbonyl chloride;EINECS 262-638-8;EINECS 287-217-6;exo-3,3-Dimethylbicyclo(2.2.1)heptane-2-carbonyl chloride;3,3-Dimethylbicyclo(2.2.1)heptane-2-carbonyl chloride;DTXSID10976681

Chemical Property of 3,3-Dimethylbicyclo[2.2.1]heptane-2-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.118mmHg at 25°C
• Boiling Point: 219.6°C at 760 mmHg
• Flash Point: 111.2°C
• PSA: 17.07000
• Density: 1.099g/cm³
• LogP: 2.82410
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 186.0811428
• Heavy Atom Count: 12
• Complexity: 222

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)Cl)C

Technology Process of 3,3-Dimethylbicyclo[2.2.1]heptane-2-carbonyl chloride

There total 4 articles about 3,3-Dimethylbicyclo[2.2.1]heptane-2-carbonyl chloride 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:

2-exo-10-camphanoic acid (67519-00-0) → (+/-)-isocamphenilanic acid-chloride (61175-88-0,67596-91-2,85440-78-4)

Guidance literature:

With oxalyl dichloride; In hexane; 1) 0 deg C to rt, 2) reflux, 1-2 h;

DOI:10.1021/jo00004a019

Reference yield:

→ (+/-)-isocamphenilanic acid-chloride (61175-88-0,67596-91-2,85440-78-4)

Guidance literature:

With phosphorus trichloride;

Reference yield:

endo-2,2-dimethylbicyclo<2.2.1>heptane-3-carboxylic acid (85506-67-8) → (+/-)-isocamphenilanic acid-chloride (61175-88-0,67596-91-2,85440-78-4)

Guidance literature:

With phosphorus pentachloride; Petroleum ether;

upstream raw materials:

endo-2,2-dimethylbicyclo<2.2.1>heptane-3-carboxylic acid

2-exo-10-camphanoic acid

Downstream raw materials:

3-((1S,2R,4R)-3,3-Dimethyl-bicyclo[2.2.1]hept-2-yl)-propionyl chloride

3-((1R,2R,4S)-3,3-Dimethyl-bicyclo[2.2.1]hept-2-yl)-propionyl chloride