[(1S,3S,7S,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7- dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethyl-2-methyl-butan oate

Base Information

• Chemical Name: [(1S,3S,7S,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7- dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethyl-2-methyl-butan oate
• CAS No.: 79902-60-6
• Molecular Formula: C₂₆H₄₀O₅
• Molecular Weight: 432.601
• Mol file: 79902-60-6.mol

Synonyms:L643737-00S03

Chemical Property of [(1S,3S,7S,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7- dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethyl-2-methyl-butan oate

Chemical Property:

• Vapor Pressure: 1.27E-15mmHg at 25°C
• Boiling Point: 575.1°C at 760 mmHg
• Flash Point: 186.1°C
• PSA: 72.83000
• Density: 1.1g/cm³
• LogP: 4.97570

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of [(1S,3S,7S,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7- dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethyl-2-methyl-butan oate

There total 3 articles about [(1S,3S,7S,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7- dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethyl-2-methyl-butan oate 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-Ethyl-2-methyl-butyric acid (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester (79902-56-0) → 2-Ethyl-2-methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester (79902-60-6)

Guidance literature:

With tetrabutyl ammonium fluoride; acetic acid; In tetrahydrofuran; for 18h; Ambient temperature;

DOI:10.1021/jm00155a040

Reference yield:

2-methyl-2-ethylbutanoic acid (19889-37-3) → 2-Ethyl-2-methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester (79902-60-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 61 percent / thionyl chloride / 2 h / 100 °C

2: 4-pyrrolidinopyridine, pyridine / 288 h / 100 °C

3: acetic acid, Bu₄NF*3H₂O / tetrahydrofuran / 18 h / Ambient temperature

With pyridine; thionyl chloride; tetrabutyl ammonium fluoride; 4-pyrrolidin-1-ylpyridine; acetic acid; In tetrahydrofuran;

DOI:10.1021/jm00155a040

Reference yield:

2-ethyl-2-methylbutyryl chloride (60545-29-1) → 2-Ethyl-2-methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester (79902-60-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 4-pyrrolidinopyridine, pyridine / 288 h / 100 °C

2: acetic acid, Bu₄NF*3H₂O / tetrahydrofuran / 18 h / Ambient temperature

With pyridine; tetrabutyl ammonium fluoride; 4-pyrrolidin-1-ylpyridine; acetic acid; In tetrahydrofuran;

DOI:10.1021/jm00155a040

upstream raw materials:

2-Ethyl-2-methyl-butyric acid (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester

2-methyl-2-ethylbutanoic acid

2-ethyl-2-methylbutyryl chloride