1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethyl)-1-piperazinyl]-1-butanone

Base Information

Chemical Name:1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethyl)-1-piperazinyl]-1-butanone
CAS No.:89223-70-1
Molecular Formula:C31H38N2O
Molecular Weight:454.656
Hs Code.:
ChEMBL ID:CHEMBL3098418
DSSTox Substance ID:DTXSID701136003
Nikkaji Number:J3.259.279A

Synonyms:CHEMBL3098418;DTXSID701136003;89223-70-1;1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethyl)-1-piperazinyl]-1-butanone

Suppliers and Price of 1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethyl)-1-piperazinyl]-1-butanone

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethyl)-1-piperazinyl]-1-butanone

Chemical Property:

XLogP3:6.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:454.298413840
Heavy Atom Count:34
Complexity:579

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethyl)-1-piperazinyl]-1-butanone

There total 3 articles about 1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethyl)-1-piperazinyl]-1-butanone 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: 57.0%

: 841-77-0
diphenylmethylpiperazine

: 43076-61-5
4'-tert-butyl-4-chlorobutyrophenone

: 89223-70-1
4-(4-benzhydrylpiperazin-1-yl)-1-(4-(tert-butyl)phenyl)butan-1-one

Guidance literature:: With sodium hydrogencarbonate; In water; butanone; at 85 ℃; for 16h;
DOI:10.1021/jm5010682

Reference yield:

: 90-99-3
diphenylchloromethane

: 89223-70-1
4-(4-benzhydrylpiperazin-1-yl)-1-(4-(tert-butyl)phenyl)butan-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: acetonitrile / 18 h / 70 °C

2: sodium hydrogencarbonate / water; butanone / 16 h / 85 °C

With sodium hydrogencarbonate; In water; acetonitrile; butanone;
DOI:10.1021/jm5010682

Reference yield:

: 91-01-0
1,1-Diphenylmethanol

: 89223-70-1
4-(4-benzhydrylpiperazin-1-yl)-1-(4-(tert-butyl)phenyl)butan-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride / dichloromethane / 4.5 h / 20 °C

2: acetonitrile / 18 h / 70 °C

3: sodium hydrogencarbonate / water; butanone / 16 h / 85 °C

With thionyl chloride; sodium hydrogencarbonate; In dichloromethane; water; acetonitrile; butanone;
DOI:10.1021/jm5010682