Methyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)acetate

Base Information

• Chemical Name: Methyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)acetate
• CAS No.: 478375-42-7
• Molecular Formula: C15H21BO4
• Molecular Weight: 276.14
• Hs Code.: 2934999090
• European Community (EC) Number: 880-290-0
• DSSTox Substance ID: DTXSID90455161
• Wikidata: Q72517391
• Mol file: 478375-42-7.mol

Synonyms:478375-42-7;METHYL 2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETATE;3-(2-Methoxy-2-oxoethyl)phenylboronic acid, pinacol ester;3-(2-Methoxy-2-oxoethyl)phenylboronic acid pinacol ester;Methyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate;MFCD13195752;SCHEMBL137029;DTXSID90455161;BLPDNEGFSINGPV-UHFFFAOYSA-N;(3-(2-METHOXY-2-OXOETHYL)PHENYL)BORONIC ACID PINACOL ESTER;AKOS016007472;MB13508;METHYL2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETATE;DS-17401;SY102390;CS-0041217;FT-0756489;EN300-311730;P11669;A872050;Z2044755227;3-(2-Methoxy-2-oxoethyl)phenylboronic acid,pinacol ester;methyl (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate;METHYL 2-[3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ACETATE;[3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-phenyl]-acetic acid methyl ester;[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetic acid methyl ester

Chemical Property of Methyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)acetate

Chemical Property:

• Boiling Point: 372.043 °C at 760 mmHg
• Flash Point: 178.806 °C
• PSA: 44.76000
• Density: 1.075 g/cm³
• LogP: 1.70130
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 276.1532893
• Heavy Atom Count: 20
• Complexity: 351

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate 97% ^*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=CC(=CC=C2)CC(=O)OC

Technology Process of Methyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)acetate

There total 8 articles about Methyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)acetate 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: 100.0%

methyl 2-(3-bromophenyl)acetatee (150529-73-0) + bis(pinacol)diborane (73183-34-3) → methyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate (478375-42-7)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; at 85 ℃; for 4h; Inert atmosphere;

Reference yield: 90.0%

bis(pinacol)diborane (73183-34-3) + methyl [3-[[(trifluoromethyl)sulfonyl]oxy]phenyl]-acetate (147283-87-2) → methyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate (478375-42-7)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In N,N-dimethyl-formamide; at 70 - 90 ℃; for 3h;

DOI:10.1021/jm0301078

Reference yield: 75.0%

methanol (67-56-1) + 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile (396131-82-1) → methyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate (478375-42-7)

Guidance literature:

methanol; 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile; With hydrogenchloride; In diethyl ether; for 48h; cooling;

With methanol; In diethyl ether; at 20 ℃; for 24h; Further stages.;

DOI:10.1016/j.bmc.2007.10.075

upstream raw materials:

bis(pinacol)diborane

methyl [3-[[(trifluoromethyl)sulfonyl]oxy]phenyl]-acetate

methyl 2-(3-bromophenyl)acetatee

m-hydroxyphenylacetic acid

Downstream raw materials:

(3-{5-[5-cyano-1-(2,4-difluoro-benzyl)-6-oxo-4-trifluoromethyl-1,6-dihydro-pyridin-2-yl]-thiophen-3-yl}-phenyl)-acetic acid methyl ester

(+)-pinanediol 3-(methoxycarbonylmethyl)phenylboronate

[3-(5-bromopyrimidin-2-yl)phenyl]acetic acid

[3-(5-bromopyrimidin-2-yl)phenyl]acetohydrazide

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