Benzoic acid, 2-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, Methyl ester

Base Information

• Chemical Name: Benzoic acid, 2-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, Methyl ester
• CAS No.: 525362-07-6
• Molecular Formula: C₁₅H₂₁BO₄
• Molecular Weight: 276.14
• Mol file: 525362-07-6.mol

Synonyms:methyl 2-methyl-4-(4,4,5 ,5-tetramethyl-1,3 ,2-dioxaborolan-2-yl)benzoate

Chemical Property of Benzoic acid, 2-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, Methyl ester

Chemical Property:

• Boiling Point: 370.5±35.0 °C(Predicted)
• Density: 1.07±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C

Purity/Quality:

99.3% ^*data from raw suppliers

4-Methoxycarbonyl-3-methylphenylboronicacidpinacolester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzoic acid, 2-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, Methyl ester

There total 3 articles about Benzoic acid, 2-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 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: 100.0%

→ methyl 2-methyl-4-(4,4,5 ,5-tetramethyl-1,3 ,2-dioxaborolan-2-yl)benzoate (525362-07-6)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 80 ℃; for 20h;

Reference yield: 99.0%

4-bromo-2-methyl-benzoic acid methyl ester (99548-55-7) + bis(pinacol)diborane (73183-34-3) → methyl 2-methyl-4-(4,4,5 ,5-tetramethyl-1,3 ,2-dioxaborolan-2-yl)benzoate (525362-07-6)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 80 ℃; for 16h; Inert atmosphere;

Reference yield:

methyl 4-bromo-2-methylbenzoate + bis(pinacol)diborane (73183-34-3) → methyl 2-methyl-4-(4,4,5 ,5-tetramethyl-1,3 ,2-dioxaborolan-2-yl)benzoate (525362-07-6)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In N,N-dimethyl-formamide; at 100 ℃; for 1h; Microwave irradiation;

DOI:10.1021/jm1008727

upstream raw materials:

4-bromo-2-methyl-benzoic acid methyl ester

bis(pinacol)diborane

Downstream raw materials:

methyl 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-methylbenzoate

methyl 2-methyl-4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)benzoate

C₁₉H₂₀N₄O₂

C₂₂H₂₈N₆O

Refernces

• 1、 Hou, Liyuan,Huang, Wei,Cheng, Jiaqi,Deng, Xuanru,Lai, Haoqiang,Chen, Zhen,Zhan, Zepang,Feng, Pengju,Li, Yiqun,Yang, Fang,Chen, Tianfeng. "The investigation and bioorthogonal anticancer activity enhancement of a triphenylphosphine-labile prodrug of seleno-combretastatin-4". supporting information. p. 14495 - 14498. Retrieved 2020/12/01.
• 2、 -. "CANCER TREATMENTS TARGETING CANCER STEM CELLS". Paragraph 0331; 0376-0377; 0614-0616. . Retrieved 2019/11/19.