(2-Methylcyclohexyl)boronic acid

Base Information

• Chemical Name: (2-Methylcyclohexyl)boronic acid
• CAS No.: 97235-31-9
• Molecular Formula: C₇H₁₅BO₂
• Molecular Weight: 142.006
• DSSTox Substance ID: DTXSID70542528
• Mol file: 97235-31-9.mol

Synonyms:(2-methylcyclohexyl)boronic acid;97235-31-9;2-methylcyclohexyl boronic acid;SCHEMBL9817343;DTXSID70542528;D96319

Chemical Property of (2-Methylcyclohexyl)boronic acid

Chemical Property:

• Boiling Point: 257.5±23.0 °C(Predicted)
• Density: 0.98±0.1 g/cm3(Predicted)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.1165099
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

95%-98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B(C1CCCCC1C)(O)O

Technology Process of (2-Methylcyclohexyl)boronic acid

There total 1 articles about (2-Methylcyclohexyl)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:

(1S,2S)-diethyl trans-(2-methylcyclohexyl)boronate (112398-76-2) → C7H13B(OH)2 (97235-31-9)

Guidance literature:

In water; boronic acid from pentane soln. of boronic ester extd. 3x with 3M NaOH, combined aq. phase cooled to 0°C, acidified with 3M HCl; extd. with ether, dried, evapd.;

DOI:10.1021/ja00213a028

Reference yield: 85.0%

C7H13B(OH)2 (97235-31-9) + trimethyleneglycol (504-63-2) → (1'S,2'S)-(+)-2-(trans-2'-methylcyclohexyl)-1,3,2-dioxaborinane (97235-25-1)

Guidance literature:

In pentane; byproducts: water; boronic acid stirred with n-pentane and HO(CH2)3OH at 25°C; aq. layer removed, pentane layer dried over anhyd. MgSO4, evapd., distd.;

DOI:10.1021/ja00303a026

upstream raw materials:

(1S,2S)-diethyl trans-(2-methylcyclohexyl)boronate

Downstream raw materials:

(1'S,2'S)-(+)-2-(trans-2'-methylcyclohexyl)-1,3,2-dioxaborinane