5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-METHYL-PENTANOIC ACID METHYL ESTER

Base Information

• Chemical Name: 5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-METHYL-PENTANOIC ACID METHYL ESTER
• CAS No.: 7047-69-0
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.456
• Mol file: 7047-69-0.mol

Synonyms:2-Chromanvalericacid, 6-hydroxy-a,2,5,7,8-pentamethyl-,methyl ester (7CI,8CI)

Chemical Property of 5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-METHYL-PENTANOIC ACID METHYL ESTER

Chemical Property:

• Vapor Pressure: 3.86E-13mmHg at 25°C
• Boiling Point: 573.1°C at 760 mmHg
• Flash Point: 300.4°C
• PSA: 55.76000
• Density: 1.339g/cm³
• LogP: 4.38050

Purity/Quality:

98% ^*data from raw suppliers

5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-METHYL-PENTANOIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-METHYL-PENTANOIC ACID METHYL ESTER

There total 4 articles about 5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-METHYL-PENTANOIC 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: 80.0%

Trimethylhydroquinone (700-13-0) + 6-hydroxy-6-vinyl-2-methyl-heptanoic acid methyl ester (353748-05-7) → (+/-)-5-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)-2-methyl-pentanoic acid methyl ester (7047-69-0)

Guidance literature:

With boron trifluoride diethyl etherate; In 1,4-dioxane; at 110 ℃;

DOI:10.1016/S0968-0896(01)00010-4

Reference yield:

6-oxo-2-methyl-heptanoic acid (2570-68-5) → (+/-)-5-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)-2-methyl-pentanoic acid methyl ester (7047-69-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / sulphuric acid / 2 h / Heating

2: 81 percent / tetrahydrofuran / 2 h / 0 °C

3: 80 percent / BF₃*Et₂O / dioxane / 110 °C

With sulfuric acid; boron trifluoride diethyl etherate; In tetrahydrofuran; 1,4-dioxane; 2: Grignard reaction;

DOI:10.1016/S0968-0896(01)00010-4

Reference yield:

6-oxo-2-methyl-heptanoic acid methyl ester (2570-90-3) → (+/-)-5-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)-2-methyl-pentanoic acid methyl ester (7047-69-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / tetrahydrofuran / 2 h / 0 °C

2: 80 percent / BF₃*Et₂O / dioxane / 110 °C

With boron trifluoride diethyl etherate; In tetrahydrofuran; 1,4-dioxane; 1: Grignard reaction;

DOI:10.1016/S0968-0896(01)00010-4

upstream raw materials:

Trimethylhydroquinone

6-hydroxy-6-vinyl-2-methyl-heptanoic acid methyl ester

6-oxo-2-methyl-heptanoic acid

6-oxo-2-methyl-heptanoic acid methyl ester

Downstream raw materials:

(+/-)-5-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)-2-methyl-pentanoic acid

Refernces