(+/-)-[1-[8-hydroxy-2-[2-(trimethylsilyl)ethanesulfonamido]-3-octynyl]-2,5-cyclohexadiene-1-yl]methyl pivalate

Base Information

• Chemical Name: (+/-)-[1-[8-hydroxy-2-[2-(trimethylsilyl)ethanesulfonamido]-3-octynyl]-2,5-cyclohexadiene-1-yl]methyl pivalate
• CAS No.: 245672-18-8
• Molecular Formula: C₂₅H₄₃NO₅SSi
• Molecular Weight: 497.772

Synonyms:(+/-)-[1-[8-hydroxy-2-[2-(trimethylsilyl)ethanesulfonamido]-3-octynyl]-2,5-cyclohexadiene-1-yl]methyl pivalate

Chemical Property of (+/-)-[1-[8-hydroxy-2-[2-(trimethylsilyl)ethanesulfonamido]-3-octynyl]-2,5-cyclohexadiene-1-yl]methyl pivalate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

Technology Process of (+/-)-[1-[8-hydroxy-2-[2-(trimethylsilyl)ethanesulfonamido]-3-octynyl]-2,5-cyclohexadiene-1-yl]methyl pivalate

There total 12 articles about (+/-)-[1-[8-hydroxy-2-[2-(trimethylsilyl)ethanesulfonamido]-3-octynyl]-2,5-cyclohexadiene-1-yl]methyl pivalate 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:

2,2-dimethyl-propionic acid 1-[8-acetoxy-2-(2-trimethylsilanyl-ethanesulfonylamino)-oct-3-ynyl]-cyclohexa-2,5-dienylmethyl ester → (+/-)-[1-[8-hydroxy-2-[2-(trimethylsilyl)ethanesulfonamido]-3-octynyl]-2,5-cyclohexadiene-1-yl]methyl pivalate (245672-18-8)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4020(99)00455-X

Reference yield:

pivaloyl chloride (3282-30-2) → (+/-)-[1-[8-hydroxy-2-[2-(trimethylsilyl)ethanesulfonamido]-3-octynyl]-2,5-cyclohexadiene-1-yl]methyl pivalate (245672-18-8)

Guidance literature:

Multi-step reaction with 9 steps

1.1: 87 percent / 4-DMAP; Et₃N / CH₂Cl₂ / 54 h / 20 °C

2.1: FeCl₃ / 0.25 h

3.1: 12.5 g / aq. NaOH / methanol / 0.5 h / 15 °C

4.1: 96 percent / oxalyl chloride; DMSO; Et₃N / CH₂Cl₂

5.1: n-BuLi / tetrahydrofuran / 0.5 h / -78 °C

5.2: 7.49 g / tetrahydrofuran / 1 h

6.1: 73 percent / Ph₃P; diethyl azodicarboxylate / tetrahydrofuran / 4 h / 0 - 15 °C

7.1: FeCl₃

8.1: dimethylsulfide; TFA / CH₂Cl₂ / 9 h / 20 °C

9.1: 4.91 g / aq. NaOH / methanol / 0.5 h / 20 °C

With dmap; sodium hydroxide; n-butyllithium; oxalyl dichloride; dimethylsulfide; iron(III) chloride; dimethyl sulfoxide; triethylamine; triphenylphosphine; trifluoroacetic acid; diethylazodicarboxylate; In tetrahydrofuran; methanol; dichloromethane; 1.1: Esterification / 2.1: Elimination / 3.1: Deacetylation / 4.1: Oxidation / 5.1: Metallation / 5.2: Addition / 6.1: Substitution / 7.1: Elimination / 8.1: Substitution / 9.1: Deacetylation;

DOI:10.1016/S0040-4020(99)00455-X

Reference yield:

1-(2-tert-butoxyethyl)-2,5-cyclohexadiene-1-methanol (245672-12-2) → (+/-)-[1-[8-hydroxy-2-[2-(trimethylsilyl)ethanesulfonamido]-3-octynyl]-2,5-cyclohexadiene-1-yl]methyl pivalate (245672-18-8)

Guidance literature:

Multi-step reaction with 9 steps

1.1: 87 percent / 4-DMAP; Et₃N / CH₂Cl₂ / 54 h / 20 °C

2.1: FeCl₃ / 0.25 h

3.1: 12.5 g / aq. NaOH / methanol / 0.5 h / 15 °C

4.1: 96 percent / oxalyl chloride; DMSO; Et₃N / CH₂Cl₂

5.1: n-BuLi / tetrahydrofuran / 0.5 h / -78 °C

5.2: 7.49 g / tetrahydrofuran / 1 h

6.1: 73 percent / Ph₃P; diethyl azodicarboxylate / tetrahydrofuran / 4 h / 0 - 15 °C

7.1: FeCl₃

8.1: dimethylsulfide; TFA / CH₂Cl₂ / 9 h / 20 °C

9.1: 4.91 g / aq. NaOH / methanol / 0.5 h / 20 °C

With dmap; sodium hydroxide; n-butyllithium; oxalyl dichloride; dimethylsulfide; iron(III) chloride; dimethyl sulfoxide; triethylamine; triphenylphosphine; trifluoroacetic acid; diethylazodicarboxylate; In tetrahydrofuran; methanol; dichloromethane; 1.1: Esterification / 2.1: Elimination / 3.1: Deacetylation / 4.1: Oxidation / 5.1: Metallation / 5.2: Addition / 6.1: Substitution / 7.1: Elimination / 8.1: Substitution / 9.1: Deacetylation;

DOI:10.1016/S0040-4020(99)00455-X

upstream raw materials:

pivaloyl chloride

[1-(formylmethyl)-2,5-cyclohexadiene-1-yl]methyl pivalate

1-(2-tert-butoxyethyl)-2,5-cyclohexadiene-1-methanol

1-(2-tert-butoxyethyl)-2,5-cyclohexadiene-1-carboxylic acid

Downstream raw materials:

(+/-)-[1-[(Z)-8-hydroxy-2-[2-(trimethylsilyl)ethanesulfonamido]-3-octenyl]-2,5-cyclohexadiene-1-yl]methyl pivalate, p-toluenesulfonate (ester)

(+/-)-[1-[(Z)-8-hydroxy-2-[2-(trimethylsilyl)ethanesulfonamido]-3-octenyl]-2,5-cyclohexadiene-1-yl]methyl pivalate

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