3-O-Methyltolcapone

Base Information

Chemical Name:3-O-Methyltolcapone
CAS No.:134612-80-9
Molecular Formula:C17H17NO5
Molecular Weight:315.32058
Hs Code.:2914700090
UNII:F90Q84HN93
DSSTox Substance ID:DTXSID30158826
Nikkaji Number:J623.292B
Wikidata:Q27277819
Mol file:134612-80-9.mol

Synonyms:3-O-methyltolcapone

Suppliers and Price of 3-O-Methyltolcapone

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
3-O-MethylTolcapone
500mg
$ 1455.00

Medical Isotopes, Inc.
3-O-MethylTolcapone
50 mg
$ 650.00

Crysdot
(4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone 98%
5g
$ 594.00

Ambeed
(4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone 98%
1g
$ 200.00

Ambeed
(4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone 98%
250mg
$ 80.00

Ambeed
(4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone 98%
100mg
$ 51.00

Ambeed
(4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone 98%
5g
$ 600.00

Alichem
(4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone
5g
$ 606.00

Alichem
(4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone
1g
$ 210.00

Abosyn
(4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone 95-98%
5g
$ 972.00

Total 23 raw suppliers

Chemical Property of 3-O-Methyltolcapone

Chemical Property:

Melting Point:135-137 °C(Solv: ethanol (64-17-5))
Boiling Point:471.8 °C at 760 mmHg
PKA:4.97±0.38(Predicted)
Flash Point:239.1 °C
PSA：92.35000
Density:1.317 g/cm³
LogP:3.49490
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:287.07937252
Heavy Atom Count:21
Complexity:386

Purity/Quality:

99%, ^*data from raw suppliers

3-O-MethylTolcapone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]
Uses 3-O-Methyl Tolcapone is a metabolite of the catechol-O-Methyl transferase inhibitor Tolcapone (T535250).

Technology Process of 3-O-Methyltolcapone

There total 2 articles about 3-O-Methyltolcapone 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: 88.0%