Iloperidone metabolite Hydroxy Iloperidone

Base Information

• Chemical Name: Iloperidone metabolite Hydroxy Iloperidone
• CAS No.: 133454-55-4
• Molecular Formula: C24H29FN2O4
• Molecular Weight: 428.504
• European Community (EC) Number: 802-848-4
• UNII: ARO6P38EJS
• DSSTox Substance ID: DTXSID10431361
• Nikkaji Number: J998.630H
• Wikidata: Q27274088
• ChEMBL ID: CHEMBL14394
• Mol file: 133454-55-4.mol

Synonyms:Hydroxy Iloperidone;133454-55-4;Iloperidone metabolite Hydroxy Iloperidone;P88;Iloperidone Metabolite P88;(S)-Hydroxy Iloperidone;UNII-ARO6P38EJS;ARO6P38EJS;P 88-8991;P-88-8991;P-88;CHEMBL14394;1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanol;4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxy-alpha-methyl-benzenemethanol;Benzenemethanol, 4-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-methoxy-alpha-methyl-;BENZENEMETHANOL, 4-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL]PROPOXY]-3-METHOXY-ALPHA-METHYL-;SCHEMBL140810;C24H29FN2O4;DTXSID10431361;HY-G0003;BDBM50034056;PDSP1_000512;PDSP2_000510;IloperidonemetaboliteHydroxyIloperidone;AS-78375;FT-0669481;E85170;A908310;Q27274088;1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxy-phenyl)-ethanol;1-[4-[3-[4-(6-Fluoro-1,2-benzoisoxazole-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]ethanol;BENZENEMETHANOL, 4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)PROPOXY)-3-METHOXY-.ALPHA.-METHYL-;BENZENEMETHANOL,4-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL]PROPOXY]-3-METHOXY-ALPHA-METHYL-

Chemical Property of Iloperidone metabolite Hydroxy Iloperidone

Chemical Property:

• Flash Point: 9℃
• PSA: 67.96000
• LogP: 4.61520
• Storage Temp.: -20°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 428.21113557
• Heavy Atom Count: 31
• Complexity: 548

Purity/Quality:

97% ^*data from raw suppliers

Hydroxy Iloperidone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC)O
• Uses: A hydroxylated metabolite of Iloperidone (I267200).

Technology Process of Iloperidone metabolite Hydroxy Iloperidone

There total 3 articles about Iloperidone metabolite Hydroxy Iloperidone 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: 67.0%

iloperidone (133454-47-4) → 4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-propoxy]-3-methoxy-α-methylbenzenemethanol (133454-55-4,501373-87-1)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; methanol; for 3h; Ambient temperature;

DOI:10.1021/jm00007a009

Reference yield:

→ 4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-3-methoxy-α-methylbenzene-methanol + 4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-propoxy]-3-methoxy-α-methylbenzenemethanol (133454-55-4,501373-87-1)

Guidance literature:

Reference yield:

→ 4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-3-methoxy-α-methylbenzenemethanol + 4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-propoxy]-3-methoxy-α-methylbenzenemethanol (133454-55-4,501373-87-1)

Guidance literature:

upstream raw materials:

iloperidone

Downstream raw materials:

iloperidone