Boronic acid, (1-methylethenyl)-

Base Information

• Chemical Name: Boronic acid, (1-methylethenyl)-
• CAS No.: 14559-87-6
• Molecular Formula: C3H7BO2
• Molecular Weight: 85.8984
• European Community (EC) Number: 816-807-3
• DSSTox Substance ID: DTXSID90445901
• Nikkaji Number: J1.965.865A
• Wikidata: Q72502384
• Mol file: 14559-87-6.mol

Synonyms:prop-1-en-2-ylboronic acid;

Chemical Property of Boronic acid, (1-methylethenyl)-

Chemical Property:

• Melting Point: 104℃
• Boiling Point: 78-80℃ (18 Torr)
• PKA: 9.40±0.43(Predicted)
• PSA: 40.46000
• Density: 0.955±0.06 g/cm3(Predicted)
• LogP: -0.42550
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 86.0539096
• Heavy Atom Count: 6
• Complexity: 59.8

Purity/Quality:

98% ^*data from raw suppliers

IsopropenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C(=C)C)(O)O
• Uses: Isopropenylboronic Acid is a reagent used in various synthetic preparations.

Technology Process of Boronic acid, (1-methylethenyl)-

There total 8 articles about Boronic acid, (1-methylethenyl)- 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%

isopropenylmagnesium bromide (13291-18-4) → isopropenylboronic acid (14559-87-6)

Guidance literature:

isopropenylmagnesium bromide; With Trimethyl borate; In tetrahydrofuran; at 20 ℃; for 2h;

With hydrogenchloride; water; In tetrahydrofuran; at 0 ℃; for 0.25h;

Reference yield: 90.0%

methyl-triphenylphosphonium iodide (2065-66-9) + para-bromoacetophenone (99-90-1) → isopropenylboronic acid (14559-87-6) + (Z)-β-bromo-α-methylstyrene (19647-26-8)

Guidance literature:

With sodium hydroxide; magnesium sulfate; In tetrahydrofuran; methanol; dichloromethane; nitrogen; water;

Reference yield: 44.0%

Trimethyl borate (121-43-7,63156-11-6) + isopropenylmagnesium bromide (13291-18-4) → isopropenylboronic acid (14559-87-6)

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

upstream raw materials:

Trimethyl borate

isopropenylmagnesium bromide

di-n-butyl-(2-propenyl)-boronate

2-bromoprop-1-ene

Downstream raw materials:

2-(4-tert-butylphenyl)propene

2-(2-methoxyphenyl)propene

1-(propen-2-yl)naphthalene

2-(2,4,6-trimethylphenyl)propene

Refernces

• 1、 Tan, Siu Min,Willis, Anthony C.,Paddon-Row, Michael N.,Sherburn, Michael S.. "Multicomponent Diene-Transmissive Diels-Alder Sequences Featuring Aminodendralenes". supporting information. p. 3081 - 3085. Retrieved 2016/03/12.
• 2、 -. "MONOSUBSTITUTED DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES FOR USE IN ORGANIC LIGHT EMITTING DIODES". Page/Page column 104. . Retrieved 2015/01/16.