1-Propanone, 1-(3,4-dihydroxyphenyl)-2-methyl-

Base Information

Chemical Name:1-Propanone, 1-(3,4-dihydroxyphenyl)-2-methyl-
CAS No.:5466-89-7
Molecular Formula:C10H12 O3
Molecular Weight:180.203
Hs Code.:2914501900
NSC Number:27389
DSSTox Substance ID:DTXSID40203119
Nikkaji Number:J23.582B
Wikidata:Q27149134
ChEMBL ID:CHEMBL353187
Mol file:5466-89-7.mol

Synonyms:3',4'-dihydroxy-2-methylpropiophenone;U 0521;U-0521;U0521

Suppliers and Price of 1-Propanone, 1-(3,4-dihydroxyphenyl)-2-methyl-

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
U-0521
25mg
$ 105.00

TRC
U-0521
100mg
$ 340.00

American Custom Chemicals Corporation
U-0521 95.00%
100MG
$ 613.00

American Custom Chemicals Corporation
U-0521 95.00%
20MG
$ 453.00

Alfa Aesar
U-0521 98%
100mg
$ 337.00

Alfa Aesar
U-0521 98%
20mg
$ 107.00

Total 8 raw suppliers

Chemical Property of 1-Propanone, 1-(3,4-dihydroxyphenyl)-2-methyl-

Chemical Property:

Vapor Pressure:4.56E-06mmHg at 25°C
Melting Point:79-81℃
Boiling Point:372.2°Cat760mmHg
PKA:8.77±0.31(Predicted)
Flash Point:193.1°C
PSA：57.53000
Density:1.191g/cm³
LogP:1.93650
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slig
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:180.078644241
Heavy Atom Count:13
Complexity:189

Purity/Quality:

97% ^*data from raw suppliers

U-0521 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(=O)C1=CC(=C(C=C1)O)O
Uses U-0521 is an extraneuronal COMT uptake inhibitor.

Technology Process of 1-Propanone, 1-(3,4-dihydroxyphenyl)-2-methyl-

There total 3 articles about 1-Propanone, 1-(3,4-dihydroxyphenyl)-2-methyl- 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: 63.0%

: 14046-55-0
isobutyryl-3,4-dimethoxybenzene

: 5466-89-7
U-0521

Guidance literature:: With lithium chloride; In N,N-dimethyl-formamide;
DOI:10.1246/bcsj.20150316 DOI:10.1246/bcsj.20150403

Reference yield:

: 91-16-7
1,2-dimethoxybenzene

: 5466-89-7
U-0521

Guidance literature:: Multi-step reaction with 2 steps

1: iodine

2: lithium chloride / N,N-dimethyl-formamide

With iodine; lithium chloride; In N,N-dimethyl-formamide;
DOI:10.1246/bcsj.20150316