3-[1-[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one

Base Information

Chemical Name:3-[1-[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CAS No.:74179-08-1
Molecular Formula:C₂₄H₃₁N₃O₅
Molecular Weight:441.527
Hs Code.:
DSSTox Substance ID:DTXSID70995651
Nikkaji Number:J22.216J
ChEMBL ID:CHEMBL66760

Synonyms:KF 4942;KF-4942;threo-1-(2-hydroxy-2-(3,4,5-trimethoxyphenyl)-1-methylethyl)-4-(1,3-dihydro-2H-benzimidazol-2-one-1-yl)piperidine

Suppliers and Price of 3-[1-[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 3-[1-[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one

Chemical Property:

PSA：89.21000
Density:1.238g/cm³
LogP:3.46460
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:441.22637110
Heavy Atom Count:32
Complexity:615

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(C1=CC(=C(C(=C1)OC)OC)OC)O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

Technology Process of 3-[1-[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one

There total 7 articles about 3-[1-[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one 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: 77.1%

: 74179-07-0
1-<2-oxo-2-(3,4,5-trimethoxyphenyl)-1-methylethyl>-4-(1,3-dihydro-2H-benzimidazol-2-one-1-yl)piperidine

: 74179-08-1,82454-29-3,82832-86-8,83259-47-6,83259-48-7,83259-49-8,83665-44-5,83708-93-4,83708-94-5
1-{1-[2-Hydroxy-1-methyl-2-(3,4,5-trimethoxy-phenyl)-ethyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one

Guidance literature:: With hydrogen; platinum(IV) oxide; In methanol; acetic acid; for 3h; Ambient temperature;
DOI:10.1248/cpb.30.462

Reference yield: 77.1%

: 74179-07-0
1-<2-oxo-2-(3,4,5-trimethoxyphenyl)-1-methylethyl>-4-(1,3-dihydro-2H-benzimidazol-2-one-1-yl)piperidine

: 74179-08-1,82454-29-3,82832-86-8,83259-47-6,83259-48-7,83259-49-8,83665-44-5,83708-93-4,83708-94-5
threo-1-<2-hydroxy-2-(3,4,5-trimethoxyphenyl)-1-methylethyl>-4-(1,3-dihydro-2H-benzimidazol-2-one-1-yl)piperidine

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 5 ℃;
DOI:10.1248/cpb.30.462

Reference yield:

: 52190-29-1
2-bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one

: 74179-08-1,82454-29-3,82832-86-8,83259-47-6,83259-48-7,83259-49-8,83665-44-5,83708-93-4,83708-94-5
1-{1-[2-Hydroxy-1-methyl-2-(3,4,5-trimethoxy-phenyl)-ethyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 69.4 percent / Et₃N / methanol / Ambient temperature

2: 77.1 percent / H₂ / PtO₂ / aq. acetic acid; methanol / 3 h / Ambient temperature

With hydrogen; triethylamine; platinum(IV) oxide; In methanol; acetic acid;
DOI:10.1248/cpb.30.462