Afloqualone

Base Information

Chemical Name:Afloqualone
CAS No.:56287-74-2
Molecular Formula:C16H14FN3O
Molecular Weight:283.305
Hs Code.:
UNII:CO4U2C8ORZ
DSSTox Substance ID:DTXSID5022562
Nikkaji Number:J3.197F
Wikipedia:Afloqualone
Wikidata:Q4689289
NCI Thesaurus Code:C83522
Metabolomics Workbench ID:155796
ChEMBL ID:CHEMBL2105918

Synonyms:afloqualone

Suppliers and Price of Afloqualone

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
Afloqualone
1g
$ 300.00

Matrix Scientific
6-Amino-2-(fluoromethyl)-3-(o-tolyl)quinazolin-4(3H)-one 95%
5g
$ 2332.00

Matrix Scientific
6-Amino-2-(fluoromethyl)-3-(o-tolyl)quinazolin-4(3H)-one 95%
1g
$ 800.00

DC Chemicals
Afloqualone >98%
1 g
$ 300.00

Crysdot
Afloqualone 98+%
100mg
$ 42.00

ChemScene
Afloqualone >98.0%
100mg
$ 72.00

Cayman Chemical
Afloqualone ≥98%
1mg
$ 71.00

Cayman Chemical
Afloqualone ≥98%
5mg
$ 316.00

Biosynth Carbosynth
6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)-quinazolin-4-one
500 mg
$ 60.00

AvaChem
Afloqualone
100mg
$ 65.00

Total 108 raw suppliers

Chemical Property of Afloqualone

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:195-196 °C
Refractive Index:1.642
Boiling Point:492.541 °C at 760 mmHg
PKA:2.73±0.70(Predicted)
Flash Point:251.68 °C
PSA：60.91000
Density:1.31 g/cm³
LogP:3.32700
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:283.11209024
Heavy Atom Count:21
Complexity:439

Purity/Quality:

99% ^*data from raw suppliers

Afloqualone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CF
Description Afloqualone is a centrally acting muscle relaxant useful in the management of various spastic conditions, including cerebral palsy, cervical spondylosis, and multiple sclerosis. It is closely related to the hypnotidsedative methaqualone. Afloqualone (Item No. 21834) is an analytical reference standard categorized as a quinazolinone. This product is intended for research and forensic applications.
Uses Afloqualone acts as a muscle relaxant in humans and may be used in the treatment of muscle spasms affecting rheumatoid arthritis.
Therapeutic Function Muscle relaxant

Technology Process of Afloqualone

There total 7 articles about Afloqualone 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: 88.5%

: 61899-79-4
6-acetamido-2-fluoromethyl-3-(2-methylphenyl)-4(3H)-1,3-phthalazinone

: 56287-74-2
6-amino-2-fluoromethyl-3-(o-tolyl)-4(3H)-quinazolinone

Guidance literature:: With sodium hydroxide; In ethanol; water; at 70 ℃; for 2h;

Reference yield: 84.0%

: 56287-73-1
2-fluoromethyl-3-(o-hydroxymethylphenyl)-6-nitro-4(3H)-quinazolinone

: 56287-74-2
6-amino-2-fluoromethyl-3-(o-tolyl)-4(3H)-quinazolinone

Guidance literature:: With stannous chloride; In hydrogenchloride; methanol; chloroform; water; isopropyl alcohol;

Reference yield:

: 118-48-9
isatoic anhydride

: 56287-74-2
6-amino-2-fluoromethyl-3-(o-tolyl)-4(3H)-quinazolinone

Guidance literature:: Multi-step reaction with 6 steps

1.1: sulfuric acid; nitric acid / 2 h / 0 - 10 °C

2.1: hydrogen / tetrahydrofuran / 2 h / 60 °C / 15001.5 Torr

2.2: 1 h / 20 °C

3.1: ethanol / 4 h / Reflux

4.1: acetic acid / 4.33 h / Reflux

5.1: potassium fluoride; tetrabutylammomium bromide / acetonitrile / 4 h / Reflux

6.1: sodium hydroxide / ethanol; water / 2 h / 70 °C

With potassium fluoride; sulfuric acid; tetrabutylammomium bromide; hydrogen; nitric acid; acetic acid; sodium hydroxide; In tetrahydrofuran; ethanol; water; acetonitrile;