2,3-Dimethylcholanthrene

Base Information

• Chemical Name: 2,3-Dimethylcholanthrene
• CAS No.: 63041-62-3
• Molecular Formula: C22H18
• Molecular Weight: 282.40
• Hs Code.: 2902909090
• NSC Number: 408581
• Mol file: 63041-62-3.mol

Synonyms:2,3-Dimethylcholanthrene;63041-62-3;Benz(j)aceanthrylene, 1,2-dihydro-2,3-dimethyl-;Benz[j]aceanthrylene, 1,2-dihydro-2,3-dimethyl-;16:20-Dimethylcholanthrene;Cholanthrene, 2,3-dimethyl-;BRN 3335464;NSC408581;NSC 408581;NSC-408581;Benz[j]aceanthrylene,2-dihydro-2,3-dimethyl-

Chemical Property of 2,3-Dimethylcholanthrene

Chemical Property:

• Vapor Pressure: 7.42E-10mmHg at 25°C
• Refractive Index: 1.7810 (estimate)
• Boiling Point: 505.8°C at 760 mmHg
• Flash Point: 253.9°C
• PSA: 0.00000
• Density: 1.179g/cm³
• LogP: 6.11420
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 282.140850574
• Heavy Atom Count: 22
• Complexity: 426

Purity/Quality:

99% ^*data from raw suppliers

2,3-DIMETHYLCHOLANTHRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=C3C1=C(C=CC3=CC4=C2C=CC5=CC=CC=C54)C
• General Description: 2,3-Dimethylcholanthrene is a polycyclic aromatic hydrocarbon (PAH) known for its potent carcinogenic properties. It is structurally related to other carcinogenic PAHs, such as benz[a]anthracene, and has been extensively studied for its ability to induce tumors in experimental models. 2,3-DIMETHYLCHOLANTHRENE is metabolically activated in vivo to form reactive intermediates that bind to DNA, leading to mutagenic and carcinogenic effects. Due to its high carcinogenicity, 2,3-dimethylcholanthrene has been used as a model compound in cancer research to study mechanisms of chemical carcinogenesis and tumor development.

Technology Process of 2,3-Dimethylcholanthrene

There total 2 articles about 2,3-Dimethylcholanthrene 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:

→ 2,3-dimethyl-cholanthrene (63041-62-3)

Guidance literature:

at 400 - 415 ℃;

DOI:10.1021/jo01155a021 DOI:10.1021/ja01310a059

Reference yield:

(1,7-dimethyl-indan-4-yl)-[1]naphthyl ketone (859202-26-9) → 2,3-dimethyl-cholanthrene (63041-62-3)

Guidance literature:

at 400 - 415 ℃; (+-)-<1.7-dimethyl-indanyl-(4)>--ketone;

DOI:10.1021/jo01155a021 DOI:10.1021/ja01310a059

upstream raw materials:

(1,7-dimethyl-indan-4-yl)-[1]naphthyl ketone