CID 9909776

Base Information

Chemical Name:CID 9909776
CAS No.:98206-10-1
Molecular Formula:C22H26FN3O4
Molecular Weight:415.465
Hs Code.:
Nikkaji Number:J435.006E
Wikipedia:Flesinoxan
NCI Thesaurus Code:C80760
ChEMBL ID:CHEMBL312338
Mol file:98206-10-1.mol

Synonyms:DU 29373;DU-29373;flesinoxan;p-fluoro-N-(2-(4-(2-(hydroxymethyl)-1,4-benzodioxan-5-yl)-1-piperazinyl)ethyl)benzamide

Suppliers and Price of CID 9909776

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

ChemScene
Flesinoxan 99.07%
5mg
$ 450.00

ChemScene
Flesinoxan 99.07%
100mg
$ 2850.00

ChemScene
Flesinoxan 99.07%
50mg
$ 1900.00

ChemScene
Flesinoxan 99.07%
10mg
$ 750.00

American Custom Chemicals Corporation
FLESINOXAN 95.00%
5MG
$ 497.90

Total 12 raw suppliers

Chemical Property of CID 9909776

Chemical Property:

Vapor Pressure:4.88E-17mmHg at 25°C
Refractive Index:1.585
Boiling Point:635.8 °C at 760 mmHg
PKA:14.09±0.10(Predicted)
Flash Point:338.3 °C
PSA：74.27000
Density:1.271 g/cm³
LogP:1.90360
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:415.19073448
Heavy Atom Count:30
Complexity:553

Purity/Quality:

97% ^*data from raw suppliers

Flesinoxan 99.07% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C3=C4C(=CC=C3)OC(CO4)CO
Isomeric SMILES:C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C3=C4C(=CC=C3)O[C@@H](CO4)CO
Description Flesinoxan is a new heterobicyclic-aryl-piperazine, chemically different from buspirone-like compounds. In vitro, flesinoxan is a highly selective 5-HT1A receptor agonist and has much weaker affinity for α1-adrenergic, dopamine 2, and dopamine 3 receptors compared with buspirone (Duphar, unpublished data). The highest density of flesinoxan binding sites in brain is observed in the hippocampus, dentate gyrus, lateral septum, and entorrhinal cortex (Duphar, unpublished data). In several animal paradigms of anxiety, flesinoxan is more potent in reducing anxiety than are buspirone and ipsapirone (Duphar, unpublished data). Phase II studies have shown that flesinoxan is clearly effective in relieving symptoms of generalized anxiety disorder and better than placebo (Duphar, unpublished data). Generally, a low dose (0.4 mg) of flesinoxan is well tolerated. Higher doses (4.0 mg) are associated with treatment emergent adverse events, such as nausea, vomiting, nervousness, dizziness, and headache (Duphar, unpublished data). Currently, flesinoxan is under clinical development as a treatment both for generalized anxiety disorder and for major depressive disorder.

Technology Process of CID 9909776

There total 8 articles about CID 9909776 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:

: 6665-98-1
3-nitrobenzene-1,2-diol

: 98206-10-1
flesinoxan

Guidance literature:: Multi-step reaction with 8 steps

1: 30 percent / aq. NaOH / ethanol

2: 87 percent / pyridine

3: 94 percent / H₂ / 10percent Pd/C / ethanol / 2068.6 Torr

4: 98 percent / chlorobenzene / Heating

5: 65 percent / Et₃N / acetone

6: K₂CO₃ / methanol

7: CH₂Cl₂; H₂O / Amano P-30 lipase

8: K₂CO₃ / methanol

With pyridine; sodium hydroxide; hydrogen; potassium carbonate; triethylamine; palladium on activated charcoal; In methanol; ethanol; dichloromethane; water; chlorobenzene; acetone;
DOI:10.1016/S0040-4039(00)60954-1

Reference yield:

: 145124-52-3
Acetic acid 5-nitro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl ester

: 98206-10-1
flesinoxan

Guidance literature:: Multi-step reaction with 6 steps

1: 94 percent / H₂ / 10percent Pd/C / ethanol / 2068.6 Torr

2: 98 percent / chlorobenzene / Heating

3: 65 percent / Et₃N / acetone

4: K₂CO₃ / methanol

5: CH₂Cl₂; H₂O / Amano P-30 lipase

6: K₂CO₃ / methanol

With hydrogen; potassium carbonate; triethylamine; palladium on activated charcoal; In methanol; ethanol; dichloromethane; water; chlorobenzene; acetone;
DOI:10.1016/S0040-4039(00)60954-1

Reference yield:

: (5-Nitro-2,3-dihydro-benzo[1,4]dioxin-2-yl)-methanol

: 98206-10-1
flesinoxan

Guidance literature:: Multi-step reaction with 7 steps

1: 87 percent / pyridine

2: 94 percent / H₂ / 10percent Pd/C / ethanol / 2068.6 Torr

3: 98 percent / chlorobenzene / Heating

4: 65 percent / Et₃N / acetone

5: K₂CO₃ / methanol

6: CH₂Cl₂; H₂O / Amano P-30 lipase

7: K₂CO₃ / methanol

With pyridine; hydrogen; potassium carbonate; triethylamine; palladium on activated charcoal; In methanol; ethanol; dichloromethane; water; chlorobenzene; acetone;
DOI:10.1016/S0040-4039(00)60954-1