2-Methyl-1,3,2-dioxaborinane

Base Information

• Chemical Name: 2-Methyl-1,3,2-dioxaborinane
• CAS No.: 51901-48-5
• Molecular Formula: C4H9BO2
• Molecular Weight: 99.9253
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30455645
• Nikkaji Number: J607.728E
• Wikidata: Q82277737
• Mol file: 51901-48-5.mol

Synonyms:2-methyl-1,3,2-dioxaborinane;51901-48-5;DTXSID30455645;5,6-Dihydro-2-methyl-4H-1,3,2-dioxaborin;F72261

Chemical Property of 2-Methyl-1,3,2-dioxaborinane

Chemical Property:

• Vapor Pressure: 53.802mmHg at 25°C
• Refractive Index: 1.377
• Boiling Point: 94.5°Cat760mmHg
• Flash Point: 17.2°C
• PSA: 18.46000
• Density: 0.9g/cm³
• LogP: 0.54130
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.0695597
• Heavy Atom Count: 7
• Complexity: 51.7

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OCCCO1)C

Technology Process of 2-Methyl-1,3,2-dioxaborinane

There total 5 articles about 2-Methyl-1,3,2-dioxaborinane 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:

2-methoxy-1,3,2-dioxaborinane (1121-48-8) → 2-methyl-[1,3,2]dioxaborinane (51901-48-5)

Guidance literature:

With hydrogenchloride; methylmagnesium bromide; In diethyl ether; (N2); a soln. of B-compound cooled with a dry ice-acetone bath; a soln.of CH3MgBr added dropwise via syringe; stirred for 0.5 h; allowed to warm to room temp. with stirring for 0.5 h; cooled to 0°C; a soln. of HCl in ether added; warmed to room temp.; detected by (11)B NMR;

DOI:10.1021/om00124a002

Reference yield:

2-chloro-[1,3,2]dioxaborinane (1003-43-6) → 2-methyl-[1,3,2]dioxaborinane (51901-48-5)

Guidance literature:

With hydrogenchloride; methylmagnesium bromide; In diethyl ether; byproducts: (CH3)3B, Li(CH3)4B; (N2); a soln. of B-compound cooled with a dry ice-acetone bath; a soln.of CH3MgBr added dropwise via syringe; stirred for 0.5 h; allowed to warm to room temp. with stirring for 0.5 h; cooled to 0°C; a soln. of HCl in ether added; warmed to room temp.; detected by (11)B NMR;

DOI:10.1021/om00124a002

Reference yield:

O,O'-bis(2,6-2,6-dioxaborinan-1-yl)propane-1,3-diol (20905-35-5) → 2-methyl-[1,3,2]dioxaborinane (51901-48-5)

Guidance literature:

With hydrogenchloride; methylmagnesium bromide; In diethyl ether; (N2); a soln. of B-compound cooled with a dry ice-acetone bath; a soln.of CH3MgBr added dropwise via syringe; stirred for 0.5 h; allowed to warm to room temp. with stirring for 0.5 h; cooled to 0°C; a soln. of HCl in ether added; warmed to room temp.; detected by (11)B NMR;

DOI:10.1021/om00124a002

upstream raw materials:

2-methoxy-1,3,2-dioxaborinane

2-chloro-[1,3,2]dioxaborinane

O,O'-bis(2,6-2,6-dioxaborinan-1-yl)propane-1,3-diol

methyllithium

Downstream raw materials:

methylphenylisopropoxyborane

methyldiphenylborane

(CH₃)2BO(CH₂)3OH

trimethylborane

Refernces

• 1、 Brown, Herbert C.,Cole, Thomas E.. "Organoboranes. 39. Convenient procedures for the preparation of methylboronic acid and trimethylboroxin". . p. 816 - 821. Retrieved 2008/10/08.