Zimelidine (E-isomer)

Base Information

Chemical Name:Zimelidine (E-isomer)
CAS No.:56775-89-4
Molecular Formula:C16H17BrN2
Molecular Weight:317.228
Hs Code.:
DSSTox Substance ID:DTXSID001160540
Nikkaji Number:J22.633E
ChEMBL ID:CHEMBL354646

Synonyms:Zimelidine (E-isomer);Zimelidine (Z-isomer);MLS002154197;56775-89-4;Zimelidine dihydrochloride monohydrate;SMR001233484;Tocris-1767;A-23140;Lopac-Z-101;Prestwick3_000092;D0C1XS;BSPBio_000044;BPBio1_000050;CHEMBL354646;SCHEMBL11289888;BDBM66978;cid_24871308;DTXSID001160540;NCGC00014683;AKOS015891576;NCGC00014683-02;NCGC00014683-03;NCGC00025286-01;NCGC00097786-01;AB00514675;BRD-K47207162-312-02-2;(e)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridyl) allylamine;(2E)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine;(E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine;hydrate;hydrochloride;(E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-yl-prop-2-en-1-amine;(E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;[(E)-3-(4-bromophenyl)-3-(3-pyridyl)allyl]-dimethyl-amine

Suppliers and Price of Zimelidine (E-isomer)

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
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price

Total 0 raw suppliers

Chemical Property of Zimelidine (E-isomer)

Chemical Property:

Boiling Point:412.8±45.0 °C(Predicted)
PKA:7.91±0.28(Predicted)
PSA：16.13000
Density:1.286±0.06 g/cm3(Predicted)
LogP:3.83740
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:316.05751
Heavy Atom Count:19
Complexity:293

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)CC=C(C1=CC=C(C=C1)Br)C2=CN=CC=C2
Isomeric SMILES:CN(C)C/C=C(\C1=CC=C(C=C1)Br)/C2=CN=CC=C2

Technology Process of Zimelidine (E-isomer)

There total 24 articles about Zimelidine (E-isomer) 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: 95.0%

: 506-59-2
N,N-dimethylammonium chloride

: 83049-64-3
(E)-3-(4-Bromophenyl)-3-(3-pyridyl)propenal

: 56775-89-4
(E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridyl)allylamine

Guidance literature:: With sodium cyanoborohydride; In methanol; for 0.5h; Ambient temperature;
DOI:10.1021/jo00196a021

Reference yield:

: 77744-36-6
(Z)-3-Acetoxy-1-(4-bromophenyl)-1-(3-pyridyl)propene

: 124-40-3
dimethyl amine

: 56775-89-4
(E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridyl)allylamine

: 56775-88-3
Zimelidine

Guidance literature:: With palladium(II) acetylacetonate; 1,2-bis-(diphenylphosphino)ethane; In tetrahydrofuran; at 55 ℃; for 1h; Yield given. Yields of byproduct given;
DOI:10.1021/jo00330a019

Reference yield:

: 77744-18-4
Acetic acid 1-(4-bromo-phenyl)-1-pyridin-3-yl-allyl ester

: 124-40-3
dimethyl amine

: 56775-89-4
(E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridyl)allylamine

: 56775-88-3
Zimelidine

Guidance literature:: With palladium(II) acetylacetonate; 1,2-bis-(diphenylphosphino)ethane; In tetrahydrofuran; at 55 ℃; for 2h; Yield given. Yields of byproduct given;
DOI:10.1021/jo00330a019