(4aR^*,5S^*,6S^*,7S^*)-2-benzyl-7-((2'-ethylhexanoyl)oxy)-3,4,4a,5,6,7-hexahydro-6-hydroxy-5-((methoxymethoxy)methyl)-1(2H)-isoquinolone

Base Information

• Chemical Name: (4aR^*,5S^*,6S^*,7S^*)-2-benzyl-7-((2'-ethylhexanoyl)oxy)-3,4,4a,5,6,7-hexahydro-6-hydroxy-5-((methoxymethoxy)methyl)-1(2H)-isoquinolone
• CAS No.: 96648-92-9
• Molecular Formula: C₂₇H₃₉NO₆
• Molecular Weight: 473.61

Synonyms:(4aR^*,5S^*,6S^*,7S^*)-2-benzyl-7-((2'-ethylhexanoyl)oxy)-3,4,4a,5,6,7-hexahydro-6-hydroxy-5-((methoxymethoxy)methyl)-1(2H)-isoquinolone

Chemical Property of (4aR^*,5S^*,6S^*,7S^*)-2-benzyl-7-((2'-ethylhexanoyl)oxy)-3,4,4a,5,6,7-hexahydro-6-hydroxy-5-((methoxymethoxy)methyl)-1(2H)-isoquinolone

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Technology Process of (4aR^*,5S^*,6S^*,7S^*)-2-benzyl-7-((2'-ethylhexanoyl)oxy)-3,4,4a,5,6,7-hexahydro-6-hydroxy-5-((methoxymethoxy)methyl)-1(2H)-isoquinolone

There total 3 articles about (4aR^*,5S^*,6S^*,7S^*)-2-benzyl-7-((2'-ethylhexanoyl)oxy)-3,4,4a,5,6,7-hexahydro-6-hydroxy-5-((methoxymethoxy)methyl)-1(2H)-isoquinolone 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: 90.0%

(4aR*,5S*,6S*,7R*)-2-benzyl-3,4,4a,5,6,7-hexahydro-5-((methoxymethoxy)methyl)-6,7-oxy-1(2H)-isoquinolone (96648-91-8) + lithium 2-ethylhexanoate (15590-62-2) → (4aR*,5S*,6S*,7S*)-2-benzyl-7-((2'-ethylhexanoyl)oxy)-3,4,4a,5,6,7-hexahydro-6-hydroxy-5-((methoxymethoxy)methyl)-1(2H)-isoquinolone (96648-92-9)

Guidance literature:

2-Ethylhexanoic acid; In 1,2-dimethoxyethane; for 12h; Heating;

DOI:10.1016/S0040-4039(00)95001-9 DOI:10.1021/ja00299a050

Reference yield: 90.0%

2-Ethylhexanoic acid (149-57-5) + (4aR*,5S*,6S*,7R*)-2-benzyl-3,4,4a,5,6,7-hexahydro-5-((methoxymethoxy)methyl)-6,7-oxy-1(2H)-isoquinolone (96648-91-8) → (4aR*,5S*,6S*,7S*)-2-benzyl-7-((2'-ethylhexanoyl)oxy)-3,4,4a,5,6,7-hexahydro-6-hydroxy-5-((methoxymethoxy)methyl)-1(2H)-isoquinolone (96648-92-9)

Guidance literature:

With lithium 2-ethylhexanoate; In 1,2-dimethoxyethane; for 16h; Heating;

DOI:10.1021/ja00254a036

Reference yield:

(4aR*,5S*)-2-benzyl-5-((methoxymethoxy)methyl)-3,4,4a,5-tetrahydro-1(2H)-isoquinolone (96648-90-7,109961-10-6) → (4aR*,5S*,6S*,7S*)-2-benzyl-7-((2'-ethylhexanoyl)oxy)-3,4,4a,5,6,7-hexahydro-6-hydroxy-5-((methoxymethoxy)methyl)-1(2H)-isoquinolone (96648-92-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 14 h / 0 °C

2: 90 percent / lithium 2-ethylhexanoate / 1,2-dimethoxy-ethane / 16 h / Heating

With lithium 2-ethylhexanoate; 3-chloro-benzenecarboperoxoic acid; In 1,2-dimethoxyethane; dichloromethane;

DOI:10.1021/ja00254a036

upstream raw materials:

2-Ethylhexanoic acid

(4aR^*,5S^*,6S^*,7R^*)-2-benzyl-3,4,4a,5,6,7-hexahydro-5-((methoxymethoxy)methyl)-6,7-oxy-1(2H)-isoquinolone

lithium 2-ethylhexanoate

(4aR^*,5S^*)-2-benzyl-5-((methoxymethoxy)methyl)-3,4,4a,5-tetrahydro-1(2H)-isoquinolone

Downstream raw materials:

(4aR^*,5S^*,6S^*,7S^*)-2-benzyl-7-((2'-ethylhexanoyl)oxy)-3,4,4a,5,6,7-hexahydro-6-methoxy-5-((methoxymethoxy)methyl)-1(2H)-isoquinolone

2,3-seco-2,3-dihydroreserpine

(4aR^*,5S^*,6S^*,7S^*,8aR^*)-2-benzyl-6-methoxy-5-(methoxycarbonyl)-7-((3,4,5-trimethoxybenzoyl)oxy)perhydroisoquinoline

(4aR^*,5S^*,6S^*,7S^*,8aS^*)-2-benzyl-7-((2'-ethylhexanoyl)oxy)-6-methoxy-5-((methoxymethoxy)methyl)-3,4,4a,5,6,7,8,8a-octahydro-1(2H)-isoquinolone

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