(4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronic acid

Base Information

• Chemical Name: (4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronic acid
• CAS No.: 876189-19-4
• Molecular Formula: C₁₀H₁₃BO₄
• Molecular Weight: 208.022
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID90478956
• Nikkaji Number: J2.277.273B
• Wikidata: Q82312718
• Mol file: 876189-19-4.mol

Synonyms:876189-19-4;4-METHOXYCARBONYL-3,5-DIMETHYLPHENYLBORONIC ACID;(4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronic acid;(4-methoxycarbonyl-3,5-dimethylphenyl)boronic acid;[4-(Methoxycarbonyl)-3,5-dimethylphenyl]boronic acid;MFCD11111428;SCHEMBL15956516;DTXSID90478956;BKB18919;AKOS015852120;DS-13877;SY110456;CS-0175760;C76881;EN300-6197619;A842297;(4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronicacid;(4-methoxycarbonyl-3,5-dimethyl-phenyl)boronic acid;J-515662;4-(METHOXYCARBONYL)-3,5-DIMETHYLPHENYLBORONIC ACID;(4-(Methoxycarbonyl)-3 pound not5-dimethylphenyl)boronic acid

Chemical Property of (4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.525
• Boiling Point: 366.583°C at 760 mmHg
• Flash Point: 175.503°C
• PSA: 66.76000
• Density: 1.189g/cm³
• LogP: -0.23020
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 208.0906891
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

98%min ^*data from raw suppliers

4-Methoxycarbonyl-3,5-dimethylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C(=C1)C)C(=O)OC)C)(O)O

Technology Process of (4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronic acid

There total 1 articles about (4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronic acid 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: 73.0%

4-iodo-2,6-dimethyl-benzoic acid methyl ester → methyl 4-borono-2,6-dimethylbenzoate (876189-19-4)

Guidance literature:

4-iodo-2,6-dimethyl-benzoic acid methyl ester; With Bis<2-(N,N-dimethylamino)aethyl>aether; isopropylmagnesium chloride; In tetrahydrofuran;

With Trimethyl borate; In tetrahydrofuran;

DOI:10.1021/ol052704p

Refernces