1-Hydroxy-3-methylcholanthrene

Base Information

Chemical Name:1-Hydroxy-3-methylcholanthrene
CAS No.:3342-98-1
Molecular Formula:C₂₁H₁₆O
Molecular Weight:284.357
Hs Code.:2906199090
UNII:H9B09O30BC
DSSTox Substance ID:DTXSID70955038
Nikkaji Number:J33.968G
Wikidata:Q27279796
Mol file:3342-98-1.mol

Synonyms:1-hydroxy-3-methylcholanthrene;1-hydroxy-3-methylcholanthrene, (+-)-isomer

Suppliers and Price of 1-Hydroxy-3-methylcholanthrene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1-Hydroxy-3-methylcholanthrene
2.5mg
$ 855.00

American Custom Chemicals Corporation
1-HYDROXY-3-METHYLCHOLANTHRENE 95.00%
5MG
$ 498.66

Total 5 raw suppliers

Chemical Property of 1-Hydroxy-3-methylcholanthrene

Chemical Property:

Vapor Pressure:1.86E-13mmHg at 25°C
Refractive Index:1.4800 (estimate)
Boiling Point:561.8°Cat760mmHg
Flash Point:206.8°C
PSA：20.23000
Density:1.314g/cm³
LogP:5.04410
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:284.120115130
Heavy Atom Count:22
Complexity:432

Purity/Quality:

99% ^*data from raw suppliers

1-Hydroxy-3-methylcholanthrene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2CC(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)O
Uses 1-Hydroxy-3-methylcholanthrene is a major metabolite of 2-Methylcholanthrene and has been shown to exhibit carcinogenicity in rats at the site of injection, causing sarcomas in 42% of rats subjected to testing within 52 weeks of initial injection.

Technology Process of 1-Hydroxy-3-methylcholanthrene

There total 3 articles about 1-Hydroxy-3-methylcholanthrene 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:

: 56-49-5
methylcholanthrene

: 3342-98-1
(+/-)-1-Hydroxy-3-methyl-cholanthren

Guidance literature:: Multi-step reaction with 2 steps

1: benzene; lead (IV)-acetate; acetic acid / anschliessendes Versetzen mit Wasser

With lead(IV) acetate; acetic acid; benzene;
DOI:10.1021/ja01277a077