4-[(S)-[(2R,5S)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethylbenzamide

Base Information

Chemical Name:4-[(S)-[(2R,5S)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethylbenzamide
CAS No.:156727-75-2
Molecular Formula:C₂₈H₃₉N₃O₂
Molecular Weight:449.637
Hs Code.:
DSSTox Substance ID:DTXSID90861420
Nikkaji Number:J761.721F
ChEMBL ID:CHEMBL611159

Synonyms:CHEMBL611159;SNC-79;DTXSID90861420;156727-71-8;4-[(S)-[(2R,5S)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethylbenzamide

Suppliers and Price of 4-[(S)-[(2R,5S)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethylbenzamide

Supply Marketing:

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

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Total 1 raw suppliers

Chemical Property of 4-[(S)-[(2R,5S)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethylbenzamide

Chemical Property:

XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:449.30422750
Heavy Atom Count:33
Complexity:614

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CC(N(CC3C)CC=C)C
Isomeric SMILES:CCN(CC)C(=O)C1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)OC)N3C[C@H](N(C[C@@H]3C)CC=C)C

Technology Process of 4-[(S)-[(2R,5S)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethylbenzamide

There total 12 articles about 4-[(S)-[(2R,5S)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethylbenzamide 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: 25.0%

: 186094-10-0
4-[Chloro-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide

: 155836-78-5
(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine

: 156727-74-1
(+)-4-[(αR)-α-(2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl-3-methoxybenzyl]-N,N-diethylbenzamide

: 156727-75-2
SNC 79

Guidance literature:: With potassium carbonate; In acetonitrile; for 72h; Heating;
DOI:10.1021/jm960319n

Reference yield:

: 2815-34-1,1119702-25-8
2,5-dimethyl-piperazine

: 156727-75-2
SNC 79

Guidance literature:: Multi-step reaction with 3 steps

1: 39.65 g / ethanol / Ambient temperature

3: 25 percent / K₂CO₃ / acetonitrile / 72 h / Heating

With potassium carbonate; In ethanol; acetonitrile;
DOI:10.1021/jm960319n

Reference yield:

: 82520-37-4
(4-methylphenyl)-(3-methoxyphenyl)methanone

: 156727-75-2
SNC 79

Guidance literature:: Multi-step reaction with 6 steps

1: 53 percent / KMnO₄ / 2-methyl-propan-2-ol; H₂O / 7.5 h / Heating

2: SOCl₂ / benzene / 3 h / Heating

3: CHCl₃ / 4 h / Ambient temperature

4: 70 percent / NaBH₄ / ethanol; H₂O / 2 h / Heating

5: 11.16 g / 37percent aq. HCl / CHCl₃ / Ambient temperature

6: 25 percent / K₂CO₃ / acetonitrile / 72 h / Heating

With hydrogenchloride; sodium tetrahydroborate; potassium permanganate; thionyl chloride; potassium carbonate; In ethanol; chloroform; water; acetonitrile; tert-butyl alcohol; benzene;
DOI:10.1021/jm960319n