{4-[4-hydroxy-3-isopropyl-5-(4-nitrophenylethynyl)benzyl]-3,5-dimethylphenoxy}acetic acid methyl ester

Base Information

Chemical Name:{4-[4-hydroxy-3-isopropyl-5-(4-nitrophenylethynyl)benzyl]-3,5-dimethylphenoxy}acetic acid methyl ester
CAS No.:446312-39-6
Molecular Formula:C₂₉H₂₉NO₆
Molecular Weight:487.552
Hs Code.:

Synonyms:{4-[4-hydroxy-3-isopropyl-5-(4-nitrophenylethynyl)benzyl]-3,5-dimethylphenoxy}acetic acid methyl ester

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Chemical Property of {4-[4-hydroxy-3-isopropyl-5-(4-nitrophenylethynyl)benzyl]-3,5-dimethylphenoxy}acetic acid methyl ester

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Technology Process of {4-[4-hydroxy-3-isopropyl-5-(4-nitrophenylethynyl)benzyl]-3,5-dimethylphenoxy}acetic acid methyl ester

There total 16 articles about {4-[4-hydroxy-3-isopropyl-5-(4-nitrophenylethynyl)benzyl]-3,5-dimethylphenoxy}acetic acid methyl 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: 79.0%

: 446312-38-5
{4-[3-isopropyl-4-methoxymethoxy-5-(4-nitrophenylethynyl)benzyl]-3,5-dimethylphenoxy}acetic acid methyl ester

: 446312-39-6
{4-[4-hydroxy-3-isopropyl-5-(4-nitrophenylethynyl)benzyl]-3,5-dimethylphenoxy}acetic acid methyl ester

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; methanol; water; at 20 ℃; Inert atmosphere;
DOI:10.1021/acs.joc.5b02665

Reference yield:

: 328236-46-0
3,5-dimethyl-4-(3'-isopropyl-4'-O-methoxymethylbenzyl)-O-triisopropylsilylphenol

: 446312-39-6
{4-[4-hydroxy-3-isopropyl-5-(4-nitrophenylethynyl)benzyl]-3,5-dimethylphenoxy}acetic acid methyl ester

Guidance literature:: Multi-step reaction with 6 steps

1.1: n-BuLi / tetrahydrofuran; hexane / 2 h / -78 - 20 °C

1.2: N-iodosuccinimide / tetrahydrofuran; hexane / 5 h / 20 °C

2.1: Bu₄NF / tetrahydrofuran

3.1: Cs₂CO₃ / dimethylformamide / 0.5 h / 20 °C

4.1: KHMDS / tetrahydrofuran; toluene / 0.5 h / -78 °C

4.2: methoxy-9-BBN / tetrahydrofuran; toluene; hexane / 2 h

4.3: 0.29 g / PdCl₂(PPh₃)2 / tetrahydrofuran; toluene; hexane / 18 h / Heating

5.1: 61 percent / m-CPBA / CHCl₃ / 3 h / 0 - 20 °C

6.1: 63 percent / 1 N aq. HCl / tetrahydrofuran; propan-2-ol / 6 h / 20 °C

With hydrogenchloride; n-butyllithium; tetrabutyl ammonium fluoride; potassium hexamethylsilazane; caesium carbonate; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; hexane; chloroform; N,N-dimethyl-formamide; isopropyl alcohol; toluene; 4.1: Suzuki-Miyaura coupling;
DOI:10.1021/jm0201013

Reference yield:

: 446312-35-2
[4-(3-iodo-5-isopropyl-4-methoxymethoxybenzyl)-3,5-dimethylphenoxy]acetic acid methyl ester

: 446312-39-6
{4-[4-hydroxy-3-isopropyl-5-(4-nitrophenylethynyl)benzyl]-3,5-dimethylphenoxy}acetic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: KHMDS / tetrahydrofuran; toluene / 0.5 h / -78 °C

1.2: methoxy-9-BBN / tetrahydrofuran; toluene; hexane / 2 h

1.3: 0.29 g / PdCl₂(PPh₃)2 / tetrahydrofuran; toluene; hexane / 18 h / Heating

2.1: 61 percent / m-CPBA / CHCl₃ / 3 h / 0 - 20 °C

3.1: 63 percent / 1 N aq. HCl / tetrahydrofuran; propan-2-ol / 6 h / 20 °C

With hydrogenchloride; potassium hexamethylsilazane; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; chloroform; isopropyl alcohol; toluene; 1.1: Suzuki-Miyaura coupling;
DOI:10.1021/jm0201013