2-(2-Chlorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane

Base Information

• Chemical Name: 2-(2-Chlorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
• CAS No.: 346656-42-6
• Molecular Formula: C11H14BClO2
• Molecular Weight: 224.495
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10440014
• Nikkaji Number: J1.575.812K
• Wikidata: Q82256154
• Mol file: 346656-42-6.mol

Synonyms:2-(2-chlorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;346656-42-6;1-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzene;SCHEMBL5892430;DTXSID10440014;2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-chlorobenzene;WNA65642;MFCD08276329;AKOS004115213;AS-68761;C2004;CS-0173866;T70805;2-Chlorophenylboronic Acid Neopentyl Glycol Ester

Chemical Property of 2-(2-Chlorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane

Chemical Property:

• Vapor Pressure: 0.000545mmHg at 25°C
• Melting Point: 37oC
• Boiling Point: 321.9oC at 760 mmHg
• Flash Point: 148.5oC
• PSA: 18.46000
• Density: 1.12g/cm3
• LogP: 2.10820
• Storage Temp.: 0-10°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 224.0775375
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OCC(CO1)(C)C)C2=CC=CC=C2Cl

Technology Process of 2-(2-Chlorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane

There total 4 articles about 2-(2-Chlorophenyl)-5,5-dimethyl-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:

5,5-dimethyl-1,3,2-dioxaborinane (668987-38-0) + 1,2-dichloro-benzene (95-50-1) → 2-(2-chlorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane (346656-42-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); triethylamine; In toluene; at 23 - 100 ℃; Inert atmosphere;

DOI:10.1021/jo101023t

Reference yield:

2-Chlorobenzeneboronic acid (3900-89-8) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 2-(2-chlorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane (346656-42-6)

Guidance literature:

In diethyl ether; at 20 ℃; Inert atmosphere; Molecular sieve;

DOI:10.1016/j.chempr.2019.07.023

Reference yield:

chlorobenzene (108-90-7) → 2-(2-chlorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane (346656-42-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 2,2,6,6-tetramethylpiperidine; n-butyllithium / tetrahydrofuran / -78 - 20 °C

2: toluene / 20 °C

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; toluene;

DOI:10.1021/ol015598+

upstream raw materials:

2,2-Dimethyl-1,3-propanediol

chlorobenzene

5,5-dimethyl-1,3,2-dioxaborinane

1,2-dichloro-benzene

Downstream raw materials:

C₁₅H₁₁ClF₂

2-chlorophenylacetic acid ethyl ester

ortho-chlorobenzoic acid

(2-chlorophenyl)(morpholino)methanone

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