Etilefrine, (S)-

Base Information

Chemical Name:Etilefrine, (S)-
CAS No.:95585-90-3
Molecular Formula:C₁₀H₁₅NO₂
Molecular Weight:181.235
Hs Code.:
UNII:75GO5PP6NS
Nikkaji Number:J365.213K
Mol file:95585-90-3.mol

Synonyms:Etilefrine, (S)-;75GO5PP6NS;UNII-75GO5PP6NS;95585-90-3;Benzenemethanol, alpha-((ethylamino)methyl)-3-hydroxy-, (S)-;Benzenemethanol, alpha-((ethylamino)methyl)-3-hydroxy-, (alphaS)-;(S)-alpha-[(Ethylamino)methyl]-3-hydroxybenzenemethanol;BENZENEMETHANOL, .ALPHA.-((ETHYLAMINO)METHYL)-3-HYDROXY-, (S)-;BENZENEMETHANOL, .ALPHA.-((ETHYLAMINO)METHYL)-3-HYDROXY-, (.ALPHA.S)-

Suppliers and Price of Etilefrine, (S)-

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

Total 3 raw suppliers

Chemical Property of Etilefrine, (S)-

Chemical Property:

XLogP3:0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:181.110278721
Heavy Atom Count:13
Complexity:141

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCNCC(C1=CC(=CC=C1)O)O
Isomeric SMILES:CCNC[C@H](C1=CC(=CC=C1)O)O

Technology Process of Etilefrine, (S)-

There total 10 articles about Etilefrine, (S)- 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: 54.0%

: 536-21-0
norfenefrine

: 75-07-0,9002-91-9
acetaldehyde

: 709-55-7,95585-90-3
etilefrine

: 3-(2-(diethylamino)-1-hydroxyethyl)phenol

Guidance literature:: norfenefrine; acetaldehyde; In ethanol; at 20 ℃; for 2h;

With sodium tetrahydroborate; In ethanol; at 0 ℃; for 1h; chemoselective reaction;
DOI:10.1039/c8gc03823f

Reference yield:

: 620-18-8,24979-69-9
3-hydroxystyrene

: 709-55-7,95585-90-3
etilefrine

: 3-(2-(diethylamino)-1-hydroxyethyl)phenol

Guidance literature:: Multi-step reaction with 2 steps

1.1: iron(II) phthalocyanine; O-pivaloylhydroxylamine trifluoromethanesulfonate salt / acetonitrile; water / 16 h / 20 °C

2.1: ethanol / 2 h / 20 °C

2.2: 1 h / 0 °C

With iron(II) phthalocyanine; O-pivaloylhydroxylamine trifluoromethanesulfonate salt; In ethanol; water; acetonitrile;
DOI:10.1039/c8gc03823f

Reference yield:

: 100-83-4
meta-hydroxybenzaldehyde

: 709-55-7,95585-90-3
etilefrine

: 3-(2-(diethylamino)-1-hydroxyethyl)phenol

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 2 h / 0 °C / Inert atmosphere; Schlenk technique

1.2: 16 h / 0 - 20 °C / Inert atmosphere; Schlenk technique

2.1: iron(II) phthalocyanine; O-pivaloylhydroxylamine trifluoromethanesulfonate salt / acetonitrile; water / 16 h / 20 °C

3.1: ethanol / 2 h / 20 °C

3.2: 1 h / 0 °C

With n-butyllithium; iron(II) phthalocyanine; O-pivaloylhydroxylamine trifluoromethanesulfonate salt; In tetrahydrofuran; ethanol; hexane; water; acetonitrile; 1.1: |Wittig Olefination / 1.2: |Wittig Olefination;
DOI:10.1039/c8gc03823f