(+)-3-((alphaR)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-(3-fluorophenyl)-N-methylbenzamide

Base Information

Chemical Name:(+)-3-((alphaR)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-(3-fluorophenyl)-N-methylbenzamide
CAS No.:182417-73-8
Molecular Formula:C₃₀H₃₄FN₃O₂
Molecular Weight:487.617
Hs Code.:
UNII:R3UO4Y068S
DSSTox Substance ID:DTXSID201018408
Wikipedia:DPI-3290
Pharos Ligand ID:GSJX2YKQMBAQ
ChEMBL ID:CHEMBL155892

Synonyms:3-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-(3-fluorophenyl)-N-methylbenzamide;DPI 3290;DPI-3290;DPI3290

Suppliers and Price of (+)-3-((alphaR)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-(3-fluorophenyl)-N-methylbenzamide

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 (+)-3-((alphaR)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-(3-fluorophenyl)-N-methylbenzamide

Chemical Property:

XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:487.26350550
Heavy Atom Count:36
Complexity:735

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CN(C(CN1C(C2=CC(=CC=C2)C(=O)N(C)C3=CC(=CC=C3)F)C4=CC(=CC=C4)O)C)CC=C
Isomeric SMILES:C[C@H]1CN([C@@H](CN1[C@H](C2=CC(=CC=C2)C(=O)N(C)C3=CC(=CC=C3)F)C4=CC(=CC=C4)O)C)CC=C

Technology Process of (+)-3-((alphaR)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-(3-fluorophenyl)-N-methylbenzamide

There total 14 articles about (+)-3-((alphaR)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-(3-fluorophenyl)-N-methylbenzamide 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:

: 3-{(4-allyl-2,5-dimethyl-piperazin-1-yl)-[3-(tert-butyl-dimethyl-silanyloxy)-phenyl]-methyl}-N-(3-fluoro-phenyl)-N-methyl-benzamide

: 182417-73-8
DPI-3290

Guidance literature:: With tetraethylammonium fluoride; In acetonitrile; at 20 ℃; for 1h;
DOI:10.1021/jm020395s

Reference yield:

: 591-20-8
3-Bromophenol

: 182417-73-8
DPI-3290

Guidance literature:: Multi-step reaction with 11 steps

1.1: imidazole / dimethylformamide / 18 h / 20 °C

2.1: n-butyllithium / tetrahydrofuran; hexane / 2 h / -78 °C

2.2: tetrahydrofuran; hexane / 2 h / -78 °C

3.1: thionyl chloride / CH₂Cl₂ / 20 °C

4.1: acetonitrile / 48 h / Heating

5.1: tetraethylammonium fluoride dihydrate / acetonitrile / 1 h / 20 °C

6.1: 58 percent / 1-methyl-pyrrolidin-2-one / 30 h / 170 °C

7.1: NaOH / aq. ethanol / 72 h / Heating

8.1: imidazole; NaCl / dimethylformamide / 20 °C

9.1: oxalyl chloride; DMF / CH₂Cl₂ / 24.5 h / 0 - 20 °C

10.1: triethylamine / CH₂Cl₂ / 20 °C

11.1: tetraethylammonium fluoride dihydrate / acetonitrile / 1 h / 20 °C

With 1H-imidazole; sodium hydroxide; n-butyllithium; thionyl chloride; oxalyl dichloride; tetraethylammonium fluoride; triethylamine; N,N-dimethyl-formamide; sodium chloride; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; ethanol; hexane; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm020395s

Reference yield:

: 65423-56-5
1-bromo-3-[(tert-butyldimethylsilyl)oxy]benzene

: 182417-73-8
DPI-3290

Guidance literature:: Multi-step reaction with 10 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 2 h / -78 °C

1.2: tetrahydrofuran; hexane / 2 h / -78 °C

2.1: thionyl chloride / CH₂Cl₂ / 20 °C

3.1: acetonitrile / 48 h / Heating

4.1: tetraethylammonium fluoride dihydrate / acetonitrile / 1 h / 20 °C

5.1: 58 percent / 1-methyl-pyrrolidin-2-one / 30 h / 170 °C

6.1: NaOH / aq. ethanol / 72 h / Heating

7.1: imidazole; NaCl / dimethylformamide / 20 °C

8.1: oxalyl chloride; DMF / CH₂Cl₂ / 24.5 h / 0 - 20 °C

9.1: triethylamine / CH₂Cl₂ / 20 °C

10.1: tetraethylammonium fluoride dihydrate / acetonitrile / 1 h / 20 °C

With 1H-imidazole; sodium hydroxide; n-butyllithium; thionyl chloride; oxalyl dichloride; tetraethylammonium fluoride; triethylamine; N,N-dimethyl-formamide; sodium chloride; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; ethanol; hexane; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm020395s