(alphaR,2R)-4-Butyl-alpha-methyl-1-(phenylmethyl)-2-piperazinemethanol

Base Information

Chemical Name:(alphaR,2R)-4-Butyl-alpha-methyl-1-(phenylmethyl)-2-piperazinemethanol
CAS No.:249611-14-1
Molecular Formula:C₁₇H₂₈N₂O
Molecular Weight:276.422
Hs Code.:
DSSTox Substance ID:DTXSID901178554

Synonyms:DTXSID901178554;(alphaR,2R)-4-Butyl-alpha-methyl-1-(phenylmethyl)-2-piperazinemethanol;249611-14-1

Suppliers and Price of (alphaR,2R)-4-Butyl-alpha-methyl-1-(phenylmethyl)-2-piperazinemethanol

Supply Marketing:

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

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Chemical Property of (alphaR,2R)-4-Butyl-alpha-methyl-1-(phenylmethyl)-2-piperazinemethanol

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:276.220163521
Heavy Atom Count:20
Complexity:266

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCN1CCN(C(C1)C(C)O)CC2=CC=CC=C2
Isomeric SMILES:CCCCN1CCN([C@H](C1)[C@@H](C)O)CC2=CC=CC=C2

Technology Process of (alphaR,2R)-4-Butyl-alpha-methyl-1-(phenylmethyl)-2-piperazinemethanol

There total 3 articles about (alphaR,2R)-4-Butyl-alpha-methyl-1-(phenylmethyl)-2-piperazinemethanol 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: 87.0%

: 249611-07-2
(1R,3R,8aS)-(-)-7-Butyl-1-methyl-3-phenyl-1,6,7,8a-tetrahydro[1,3]oxazolo[3,4-a]pyrazine-5,8-dione

: 249611-14-1
(1R)-(-)-1-[(2R)-1-Benzyl-4-butylpiperazin-2-yl]ethan-1-ol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 48h; Heating;
DOI:10.1055/s-1999-3596

Reference yield:

: 100-52-7
benzaldehyde

: 249611-14-1
(1R)-(-)-1-[(2R)-1-Benzyl-4-butylpiperazin-2-yl]ethan-1-ol

Guidance literature:: Multi-step reaction with 3 steps

1.1: Et₃N; MgSO₄ / methanol / 24 h / 20 °C

1.2: 55 percent / Et₃N / CH₂Cl₂ / 17 h / -5 - 20 °C

2.1: 82 percent / dimethylsulfoxide / 48 h / 60 °C

3.1: 87 percent / LiAlH₄ / tetrahydrofuran / 48 h / Heating

With lithium aluminium tetrahydride; magnesium sulfate; triethylamine; In tetrahydrofuran; methanol; dimethyl sulfoxide; 1.1: Cycloaddition / 1.2: Acylation / 2.1: Cyclization / 3.1: Reduction;
DOI:10.1055/s-1999-3596

Reference yield:

: 249610-98-8
(2R,4S,5R)-(+)-Methyl 3-(2-chloroacetyl)-5-methyl-2-phenyl-1,3-oxazolidine-4-carboxylate

: 249611-14-1
(1R)-(-)-1-[(2R)-1-Benzyl-4-butylpiperazin-2-yl]ethan-1-ol

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / dimethylsulfoxide / 48 h / 60 °C

2: 87 percent / LiAlH₄ / tetrahydrofuran / 48 h / Heating

With lithium aluminium tetrahydride; In tetrahydrofuran; dimethyl sulfoxide; 1: Cyclization / 2: Reduction;
DOI:10.1055/s-1999-3596