11,12-Epoxy-3-methylcholanthrene

Base Information

Chemical Name:11,12-Epoxy-3-methylcholanthrene
CAS No.:3416-21-5
Deprecated CAS:110455-90-8
Molecular Formula:C₂₁H₁₆O
Molecular Weight:284.357
Hs Code.:
DSSTox Substance ID:DTXSID50276016
Nikkaji Number:J2.179B
Mol file:3416-21-5.mol

Synonyms:methylcholanthrene-11,12-epoxide

Suppliers and Price of 11,12-Epoxy-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

Total 5 raw suppliers

Chemical Property of 11,12-Epoxy-3-methylcholanthrene

Chemical Property:

Vapor Pressure:6.61E-10mmHg at 25°C
Refractive Index:1.4800 (estimate)
Boiling Point:507.1°Cat760mmHg
Flash Point:243.1°C
PSA：12.53000
Density:1.306g/cm³
LogP:5.03980
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:284.120115130
Heavy Atom Count:22
Complexity:473

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2CCC3=C2C(=CC4=C3C5C(O5)C6=CC=CC=C64)C=C1

Technology Process of 11,12-Epoxy-3-methylcholanthrene

There total 1 articles about 11,12-Epoxy-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:

: 3416-21-5,98243-84-6,98243-85-7
(+/-)-3-methylcholanthrene-11,12-epoxide

Guidance literature:: 3-Methyl-7-phenyl-acenaphthen-2',8-dicarboxaldehyd, Tri-(dimethylamino)-phosphin, Erhitzen;

Reference yield:

: 3416-21-5,98243-84-6,98243-85-7
(+/-)-3-methylcholanthrene-11,12-epoxide

: 59339-83-2
11-methoxy-3-methylcholanthrene

Guidance literature:: Multi-step reaction with 3 steps

1: CH₃ONa / 1) 50 deg C, 1 h, 2) room temperature overnight

2: NaH / tetrahydrofuran / 1.5 h / 45 °C

3: BF₃*(C₂H₅)2O / diethyl ether / 1.5 h / 45 °C

With boron trifluoride diethyl etherate; sodium methylate; sodium hydride; In tetrahydrofuran; diethyl ether;
DOI:10.1021/ac00149a011

Reference yield:

: 3416-21-5,98243-84-6,98243-85-7
(+/-)-3-methylcholanthrene-11,12-epoxide

: 3343-11-1
11-hydroxy-3-methylcholanthrene

Guidance literature:: Multi-step reaction with 2 steps

1: CH₃ONa / 1) 50 deg C, 1 h, 2) room temperature overnight

2: aq. HCl / acetone / 2 h / 50 °C

With hydrogenchloride; sodium methylate; In acetone;
DOI:10.1021/ac00149a011