2-{4-[6-((7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl)-hex-1-ynyl]-benzyl}malonic acid diethyl ester

Base Information

Chemical Name:2-{4-[6-((7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl)-hex-1-ynyl]-benzyl}malonic acid diethyl ester
CAS No.:1428627-92-2
Molecular Formula:C₃₈H₄₈O₆
Molecular Weight:600.796
Hs Code.:

Synonyms:2-{4-[6-((7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl)-hex-1-ynyl]-benzyl}malonic acid diethyl ester

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Chemical Property of 2-{4-[6-((7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl)-hex-1-ynyl]-benzyl}malonic acid diethyl ester

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Technology Process of 2-{4-[6-((7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl)-hex-1-ynyl]-benzyl}malonic acid diethyl ester

There total 10 articles about 2-{4-[6-((7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl)-hex-1-ynyl]-benzyl}malonic acid diethyl ester 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: 76.0%

: 1428627-88-6
3,17β-bis(hydroxy)-7α-(6-hexynyl)-estra-1,3,5(10)-triene

: 2-(4-iodobenzyl)malonic acid diethyl ester

: 1428627-92-2
2-{4-[6-((7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl)-hex-1-ynyl]-benzyl}malonic acid diethyl ester

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at -20 - 20 ℃; for 24h; Inert atmosphere;
DOI:10.1021/jm3013773

Reference yield:

: 1428627-87-5
3,17β-bis(hydroxy)-7α-(6-hexynyl)-estra-1,3,5(10)-trien-6-one

: 1428627-92-2
2-{4-[6-((7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl)-hex-1-ynyl]-benzyl}malonic acid diethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: triethylsilane; boron trifluoride diethyl etherate / dichloromethane / 48 h / 20 °C

2: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / N,N-dimethyl-formamide / 24 h / -20 - 20 °C / Inert atmosphere

With triethylsilane; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; boron trifluoride diethyl etherate; triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm3013773

Reference yield:

: 3589-91-1
3,17β-bis(2-tetrahydropyranyloxy)estra-1,3,5(10)-triene

: 1428627-92-2
2-{4-[6-((7α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl)-hex-1-ynyl]-benzyl}malonic acid diethyl ester

Guidance literature:: Multi-step reaction with 7 steps

1.1: lithium diisopropyl amide; potassium tert-butylate / tetrahydrofuran / -78 °C

1.2: 0 °C

2.1: dihydrogen peroxide / water / 25 °C

4.1: potassium tert-butylate / tetrahydrofuran / 0.67 h / 0 °C

4.2: 2 h / -78 - 0 °C

5.1: hydrogenchloride / tetrahydrofuran; water / 20 °C

6.1: triethylsilane; boron trifluoride diethyl etherate / dichloromethane / 48 h / 20 °C

7.1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / N,N-dimethyl-formamide / 24 h / -20 - 20 °C / Inert atmosphere

With hydrogenchloride; triethylsilane; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; boron trifluoride diethyl etherate; potassium tert-butylate; dihydrogen peroxide; triethylamine; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; 3.1: |Swern Oxidation;
DOI:10.1021/jm3013773