4-METHYL-3-NITROPHENYLBORONIC ACID, PINACOL ESTER

Base Information

• Chemical Name: 4-METHYL-3-NITROPHENYLBORONIC ACID, PINACOL ESTER
• CAS No.: 1072945-06-2
• Molecular Formula: C13H18BNO4
• Molecular Weight: 263.101
• Hs Code.: 2931900090
• Mol file: 1072945-06-2.mol

Synonyms:4-METHYL-3-NITROPHENYLBORONIC ACID, PINACOL ESTER;4,4,5,5-tetramethyl-2-(3-methyl-4-nitrophenyl)-1,3,2-dioxaborolane

Chemical Property of 4-METHYL-3-NITROPHENYLBORONIC ACID, PINACOL ESTER

Chemical Property:

• Boiling Point: 359.4±35.0 °C(Predicted)
• PSA: 64.28000
• Density: 1.13
• LogP: 2.72560
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

4,4,5,5-Tetramethyl-2-(4-methyl-3-nitrophenyl)-1,3,2-dioxaborolane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-METHYL-3-NITROPHENYLBORONIC ACID, PINACOL ESTER

There total 3 articles about 4-METHYL-3-NITROPHENYLBORONIC ACID, PINACOL 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: 98.0%

4-chloro-2-nitrotoluene (89-59-8) + bis(pinacol)diborane (73183-34-3) → 4,4,5,5-tetramethyl-2-(4-methyl-3-nitrophenyl)-1,3,2-dioxaborolane (1072945-06-2)

Guidance literature:

With sodium acetate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; XPhos; for 12h; Heating;

DOI:10.1002/adsc.201500844

Reference yield: 81.0%

2,3-dimethyl-2,3-butane diol (76-09-5) + (4-methyl-3-nitrophenyl)boronic acid (80500-27-2) → 4,4,5,5-tetramethyl-2-(4-methyl-3-nitrophenyl)-1,3,2-dioxaborolane (1072945-06-2)

Guidance literature:

With 1H-imidazole; iron(III) chloride; In water; acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1055/s-0033-1340500

Reference yield: 55.0%

4-Methyl-3-nitroanilin (119-32-4) + bis(pinacol)diborane (73183-34-3) → 4,4,5,5-tetramethyl-2-(4-methyl-3-nitrophenyl)-1,3,2-dioxaborolane (1072945-06-2)

Guidance literature:

With tert.-butylnitrite; 2-(4-biphenylyl)-5-phenyloxazole; In acetonitrile; at 20 ℃; for 4h;

DOI:10.1021/jo402618r

upstream raw materials:

4-Methyl-3-nitroanilin

bis(pinacol)diborane

2,3-dimethyl-2,3-butane diol

(4-methyl-3-nitrophenyl)boronic acid

Downstream raw materials:

2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

2,2′-(4-methyl-1,3-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

tert-butyl (1-{4-[2-(4-methyl-3-nitrophenyl)-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl]phenyl}cyclobutyl)carbamate

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