2-[4-[(E)-1-(4-chlorophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

Base Information

Chemical Name:2-[4-[(E)-1-(4-chlorophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CAS No.:77588-46-6
Molecular Formula:C26H28 Cl N O
Molecular Weight:405.95962
Hs Code.:
Nikkaji Number:J254.118A
ChEMBL ID:CHEMBL316204
Mol file:77588-46-6.mol

Synonyms:4-chlorotamoxifen;para-chlorotamoxifen

Suppliers and Price of 2-[4-[(E)-1-(4-chlorophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

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
Packaging
price

American Custom Chemicals Corporation
CHLOROTAMOXIFEN 95.00%
5MG
$ 503.40

Total 0 raw suppliers

Chemical Property of 2-[4-[(E)-1-(4-chlorophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

Chemical Property:

Vapor Pressure:1.94E-10mmHg at 25°C
Boiling Point:508°C at 760 mmHg
Flash Point:261°C
PSA：12.47000
Density:1.102g/cm³
LogP:6.64950
XLogP3:7.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:405.1859422
Heavy Atom Count:29
Complexity:495

Purity/Quality:: CHLOROTAMOXIFEN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-[4-[(E)-1-(4-chlorophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

There total 4 articles about 2-[4-[(E)-1-(4-chlorophenyl)-2-phenylbut-1-enyl]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: 86.0%

: 124-40-3
dimethyl amine

: 121887-40-9
(E)-1-<4-(2-chloroethoxy)phenyl>-(4-chlorophenyl)-2-phenyl-1-butene

: 77588-46-6
trans-4-Chlorotamoxifen

Guidance literature:: In ethanol; for 40h; Heating;
DOI:10.1021/jm00132a006

Reference yield:

: 103628-22-4
1--2-phenyl-butan-1-one

: 77588-46-6
trans-4-Chlorotamoxifen

Guidance literature:: Multi-step reaction with 3 steps

1: diethyl ether

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

3: 86 percent / ethanol / 40 h / Heating

With hydrogenchloride; In diethyl ether; ethanol;
DOI:10.1021/jm00132a006

Reference yield:

: 873-77-8
(4-chlorphenyl)magnesium bromide

: 77588-46-6
trans-4-Chlorotamoxifen

Guidance literature:: Multi-step reaction with 3 steps

1: diethyl ether

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

3: 86 percent / ethanol / 40 h / Heating

With hydrogenchloride; In diethyl ether; ethanol;
DOI:10.1021/jm00132a006