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

Base Information

• Chemical Name: 2-(2-Fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
• CAS No.: 346656-39-1
• Molecular Formula: C11H14BFO2
• Molecular Weight: 208.04
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20439252
• Nikkaji Number: J1.575.811B
• Wikidata: Q82255169
• Mol file: 346656-39-1.mol

Synonyms:2-(2-fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;346656-39-1;1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene;2-Fluorophenylboronic Acid Neopentyl Glycol Ester;SCHEMBL5892492;DTXSID20439252;ZNFBLQHZFSLYQB-UHFFFAOYSA-N;MFCD06200700;AKOS004115214;AB23032;AS-68739;CS-0101383;F0531;N12490

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

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Melting Point: 64-68oC(lit.)
• Boiling Point: 290.266oC at 760 mmHg
• Flash Point: 129.349oC
• PSA: 18.46000
• Density: 1.077g/cm3
• LogP: 1.59390
• Storage Temp.: 0-10°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 208.1070880
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OCC(CO1)(C)C)C2=CC=CC=C2F

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

There total 8 articles about 2-(2-Fluorophenyl)-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: 98.0%

o-fluorophenylboronic acid (1993-03-9) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 2-(2-fluorophenyl)-5,5-dimethyl-[1,3,2]dioxaborinane (346656-39-1)

Guidance literature:

With magnesium sulfate; In diethyl ether; at 20 ℃; for 20h;

DOI:10.1002/anie.201810947

Reference yield: 97.0%

1-Fluoro-2-iodobenzene (348-52-7) + 5,5-dimethyl-1,3,2-dioxaborinane (668987-38-0) → 2-(2-fluorophenyl)-5,5-dimethyl-[1,3,2]dioxaborinane (346656-39-1)

Guidance literature:

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

DOI:10.1021/jo101023t

Reference yield: 75.0%

5,5-dimethyl-1,3,2-dioxaborinane (668987-38-0) + 2-fluorophenyl methanesulfonate → 2-(2-fluorophenyl)-5,5-dimethyl-[1,3,2]dioxaborinane (346656-39-1)

Guidance literature:

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

DOI:10.1021/ja910808x

upstream raw materials:

2,2-Dimethyl-1,3-propanediol

o-fluorobromobenzene

2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane

fluorobenzene

Downstream raw materials:

3-(2-fluorophenyl)-2-morpholinopyridine

2-(2-fluoro)phenylpyridine-3-carbonitrile

(2-fluorophenyl)(morpholino)methanone

(2-fluorobenzoyl)-4-methylpiperazine