1-(4-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-hydroxyphenyl)ethanone

Base Information

Chemical Name:1-(4-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-hydroxyphenyl)ethanone
CAS No.:133454-57-6
Molecular Formula:C₂₃H₂₅FN₂O₄
Molecular Weight:412.461
Hs Code.:
UNII:DIR26V4TXJ
ChEMBL ID:CHEMBL14380
DSSTox Substance ID:DTXSID601120718
Nikkaji Number:J998.629D

Synonyms:DIR26V4TXJ;UNII-DIR26V4TXJ;Iloperidone metabolite P89 (p37.4);CHEMBL14380;133454-57-6;1-(4-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-hydroxyphenyl)ethanone;Ethanone, 1-(4-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-hydroxyphenyl)-;1-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-hydroxyphenyl]ethanone;SCHEMBL142061;JRAOALKNNYGKLE-UHFFFAOYSA-N;DTXSID601120718;BDBM50034051;NS00116586;1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-hydroxy-phenyl)-ethanone;1-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3hydroxyphenyl]ethanone

Suppliers and Price of 1-(4-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-hydroxyphenyl)ethanone

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
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price

Total 1 raw suppliers

Chemical Property of 1-(4-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-hydroxyphenyl)ethanone

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:412.17983545
Heavy Atom Count:30
Complexity:571

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)O

Technology Process of 1-(4-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-hydroxyphenyl)ethanone

There total 2 articles about 1-(4-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-hydroxyphenyl)ethanone 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:

: 84163-77-9
6-fluoro-3-(4-piperidinyl)benzo[d]isoxazole

: 151719-65-2
1-<4-(3-chloropropoxy)-3-hydroxyphenyl>ethanone

: 133454-57-6
1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-hydroxyphenyl]ethanone

Guidance literature:: With potassium carbonate; potassium iodide; In acetonitrile; for 8h; Heating;
DOI:10.1021/jm00007a009

Reference yield:

: 1-?4-((3hloropropoxy)-3-hydroxy-phenyl)ethanone

: 84163-77-9
6-fluoro-3-(4-piperidinyl)benzo[d]isoxazole

: 1-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propcoxy]-3-hydroxyphenyl]ethanone

: 133454-57-6
1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-hydroxyphenyl]ethanone

Guidance literature:: With Ki; sodium hydrogencarbonate; In acetonitrile;

Reference yield:

: 74-96-4
ethyl bromide

: 133454-57-6
1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-hydroxyphenyl]ethanone

: 1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-l-piperidinyl]-propoxy]-3-ethoxyphenyl]ethanone

Guidance literature:: With sodium hydride; Yield given. Multistep reaction; 1.) DMF, 10 deg C, 1 h, 2.) DMF, 10 deg C to RT, 3 h;
DOI:10.1021/jm00007a009