2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Base Information

• Chemical Name: 2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS No.: 1029439-49-3
• Molecular Formula: C13H17BBrFO2
• Molecular Weight: 314.99
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50682390
• Wikidata: Q82606762
• Mol file: 1029439-49-3.mol

Synonyms:1029439-49-3;2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-Bromomethyl-2-fluorophenylboronic acid pinacol ester;2-[4-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(4-(BROMOMETHYL)-2-FLUOROPHENYL)BORONIC ACID PINACOL ESTER;SCHEMBL258023;DTXSID50682390;QOCYLABQSVWXGE-UHFFFAOYSA-N;MFCD18434471;AKOS015999346;AS-46797;F10532;A896669

Chemical Property of 2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Chemical Property:

• Melting Point: 62-64℃
• Boiling Point: 348.3±37.0 °C(Predicted)
• PSA: 18.46000
• Density: 1.31±0.1 g/cm3(Predicted)
• LogP: 3.01980
• Storage Temp.: Refrigerated.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 314.04890
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

97% ^*data from raw suppliers

4-Bromomethyl-2-fluorophenylboronicAcidPinacolEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CBr)F

Technology Process of 2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

There total 3 articles about 2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 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-(2-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1165936-03-7) → 2-(4-(bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1029439-49-3)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In acetonitrile; at 90 ℃; Inert atmosphere;

Reference yield:

2,3-dimethyl-2,3-butane diol (76-09-5) + C21H15B3Br3F3O3 (1029439-48-2) → 2-(4-(bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1029439-49-3)

Guidance literature:

In diethyl ether; for 0.5h;

Reference yield:

→ 2-(4-(bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1029439-49-3)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 4h; Cooling with ice;

upstream raw materials:

2,3-dimethyl-2,3-butane diol

C₂₁H₁₅B₃Br₃F₃O₃

2-(2-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Downstream raw materials:

C₂₀H₂₄BFO₃

2-fluoro-4-(methanesulfonylmethyl)-phenylboronic acid acid

2-(2-fluoro-4-methanesulfonylmethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

(S)-2-( 6-(4-borono-3-fluorobenzyloxy)benzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid