2-[4-[(1E)-1-(3-Iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine

Base Information

Chemical Name:2-[4-[(1E)-1-(3-Iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine
CAS No.:116057-76-2
Molecular Formula:C₂₆H₂₈INO
Molecular Weight:497.419
Hs Code.:
ChEMBL ID:CHEMBL85330
DSSTox Substance ID:DTXSID001133008

Synonyms:CHEMBL85330;SCHEMBL4308820;DTXSID001133008;2-[4-[(1E)-1-(3-Iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine;116057-76-2

Suppliers and Price of 2-[4-[(1E)-1-(3-Iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine

Supply Marketing:

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

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Chemical Property of 2-[4-[(1E)-1-(3-Iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine

Chemical Property:

XLogP3:7.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:497.12156
Heavy Atom Count:29
Complexity:503

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC(=CC=C2)I)C3=CC=CC=C3
Isomeric SMILES:CC/C(=C(/C1=CC=C(C=C1)OCCN(C)C)\C2=CC(=CC=C2)I)/C3=CC=CC=C3

Technology Process of 2-[4-[(1E)-1-(3-Iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine

There total 6 articles about 2-[4-[(1E)-1-(3-Iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine 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: 38.0%

: 1-(3-iodophenyl)-1-(4-[2-dimethylaminoethoxy]phenyl)-2-phenylbut-1-ene

: 116057-76-2
trans-3-Iodotamoxifen

Guidance literature:: With trifluorormethanesulfonic acid; In dichloromethane; at 0 ℃; for 3h;
DOI:10.1016/j.bmc.2007.09.008

Reference yield: 38.0%

: 1-(3-iodophenyl)-1-(4-hydroxyphenyl)-2-phenylbut-1-ene

: 4584-46-7
(2-chloroethyl)dimethylamine hydrochloride

: 1-(3-iodophenyl)-1-(4-[2-dimethylaminoethoxy]phenyl)-2-phenylbut-1-ene

: 116057-76-2
trans-3-Iodotamoxifen

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; at 50 ℃; for 12h;
DOI:10.1016/j.bmc.2007.09.008

Reference yield:

: 626-00-6
1,3-Diiodobenzene

: 116057-76-2
trans-3-Iodotamoxifen

Guidance literature:: Multi-step reaction with 3 steps

1: 1) n-BuLi / 1) THF, hexane, -75 deg C, 10 min, 2) THF, r.t., 20 h

2: conc. HCl / ethanol / 4 h / Heating

3: ethanol / 40 h / Heating

With hydrogenchloride; n-butyllithium; In ethanol;
DOI:10.1021/jm00132a006