(S)-1-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-3-(4-(4-(2-thienyl)-1H-imidazol-2-yl)phenoxy)-2-propanol

Base Information

Chemical Name:(S)-1-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-3-(4-(4-(2-thienyl)-1H-imidazol-2-yl)phenoxy)-2-propanol
CAS No.:85648-13-1
Molecular Formula:C₂₆H₂₉N₃O₄S
Molecular Weight:479.6
Hs Code.:
UNII:N2822NU8E4
ChEMBL ID:CHEMBL1789879
Nikkaji Number:J315.538B

Synonyms:L-643717 free base;N2822NU8E4;UNII-N2822NU8E4;(S)-1-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-3-(4-(4-(2-thienyl)-1H-imidazol-2-yl)phenoxy)-2-propanol;85648-13-1;2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(4-(4-(2-thienyl)-1H-imidazol-2-yl)phenoxy)-, (S)-;CHEMBL1788320;CHEMBL1789879;SCHEMBL10556945;BDBM50404980

Suppliers and Price of (S)-1-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-3-(4-(4-(2-thienyl)-1H-imidazol-2-yl)phenoxy)-2-propanol

Supply Marketing:

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

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Chemical Property of (S)-1-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-3-(4-(4-(2-thienyl)-1H-imidazol-2-yl)phenoxy)-2-propanol

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:479.18787759
Heavy Atom Count:34
Complexity:580

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)CCNCC(COC2=CC=C(C=C2)C3=NC=C(N3)C4=CC=CS4)O)OC
Isomeric SMILES:COC1=C(C=C(C=C1)CCNC[C@@H](COC2=CC=C(C=C2)C3=NC=C(N3)C4=CC=CS4)O)OC

Technology Process of (S)-1-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-3-(4-(4-(2-thienyl)-1H-imidazol-2-yl)phenoxy)-2-propanol

There total 11 articles about (S)-1-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-3-(4-(4-(2-thienyl)-1H-imidazol-2-yl)phenoxy)-2-propanol 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:

: 120182-60-7
(4S)-2,2-dimethyl-4[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dioxolane

: 85648-13-1
(S)-2-amino>-2-hydroxypropoxy>phenyl>-4-(2-thienyl)imidazole

Guidance literature:: Multi-step reaction with 5 steps

1: 2 N HCl / 18 h / Ambient temperature

2: benzoic acid / benzene / 2.5 h / Heating

3: 100 percent / pyridine / 3 h / 0 - 5 °C

4: 1.) NaH / 1.) DMF, 60 deg C, 0.5 h, 2.) DMF, reflux, 16 h

5: 1 N HCl, NaOAc / 5 h / Ambient temperature

With pyridine; hydrogenchloride; sodium acetate; sodium hydride; benzoic acid; In benzene;
DOI:10.1021/jm00361a004

Reference yield:

: [2-(3,4-Dimethoxy-phenyl)-ethyl]-[1-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-meth-(Z)-ylidene]-amine

: 85648-13-1
(S)-2-amino>-2-hydroxypropoxy>phenyl>-4-(2-thienyl)imidazole

Guidance literature:: Multi-step reaction with 6 steps

1: NaBH₄, 4percent NaOH / tetrahydrofuran / 1.) 0-4 deg C, 0.5 h, 2.) RT, 1.5 h

2: 2 N HCl / 18 h / Ambient temperature

3: benzoic acid / benzene / 2.5 h / Heating

4: 100 percent / pyridine / 3 h / 0 - 5 °C

5: 1.) NaH / 1.) DMF, 60 deg C, 0.5 h, 2.) DMF, reflux, 16 h

6: 1 N HCl, NaOAc / 5 h / Ambient temperature

With pyridine; hydrogenchloride; sodium hydroxide; sodium tetrahydroborate; sodium acetate; sodium hydride; benzoic acid; In tetrahydrofuran; benzene;
DOI:10.1021/jm00361a004

Reference yield:

: 85648-10-8
(S)-3-<<2-(3,4-dimethoxyphenyl)ethyl>amino>-1,2-propanediol

: 85648-13-1
(S)-2-amino>-2-hydroxypropoxy>phenyl>-4-(2-thienyl)imidazole

Guidance literature:: Multi-step reaction with 4 steps

1: benzoic acid / benzene / 2.5 h / Heating

2: 100 percent / pyridine / 3 h / 0 - 5 °C

3: 1.) NaH / 1.) DMF, 60 deg C, 0.5 h, 2.) DMF, reflux, 16 h

4: 1 N HCl, NaOAc / 5 h / Ambient temperature

With pyridine; hydrogenchloride; sodium acetate; sodium hydride; benzoic acid; In benzene;
DOI:10.1021/jm00361a004