(4-(2-Methoxy-2-oxoethyl)phenyl)boronic acid

Base Information

• Chemical Name: (4-(2-Methoxy-2-oxoethyl)phenyl)boronic acid
• CAS No.: 454185-96-7
• Molecular Formula: C9H11BO4
• Molecular Weight: 193.995
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID70460470
• Nikkaji Number: J3.634.977H
• Wikidata: Q82284523
• Mol file: 454185-96-7.mol

Synonyms:454185-96-7;(4-(2-Methoxy-2-oxoethyl)phenyl)boronic acid;4-(2-Methoxy-2-oxoethyl)phenylboronic Acid;(4-Methoxycarbonylmethyl)phenylboronic acid;(4-Methoxycarbonylmethylphenyl)boronic acid;[4-(2-methoxy-2-oxoethyl)phenyl]boronic acid;MFCD09997796;Methyl (4-boronophenyl)acetate;SCHEMBL1240497;DTXSID70460470;AKOS006305220;SB37238;CS-11530;SY024076;CS-0036604;FT-0733309;(4-(2-Methoxy-2-oxoethyl)phenyl)boronicacid;EN300-175259;W16865;A872389;J-501314

Chemical Property of (4-(2-Methoxy-2-oxoethyl)phenyl)boronic acid

Chemical Property:

• Boiling Point: 344.6 °C at 760 mmHg
• Flash Point: 162.2 °C
• PSA: 66.76000
• Density: 1.21 g/cm³
• LogP: -0.91810
• Storage Temp.: Room temperature.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.0750390
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

(4-Methoxycarbonylmethyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)CC(=O)OC)(O)O
• Uses: (4-Methoxycarbonylmethyl)phenylboronic acid

Technology Process of (4-(2-Methoxy-2-oxoethyl)phenyl)boronic acid

There total 5 articles about (4-(2-Methoxy-2-oxoethyl)phenyl)boronic acid 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: 85.0%

tetrahydroxydiboron (13675-18-8) + (4-bromo-phenyl)-acetic acid methyl ester (41841-16-1) → [4-(2-methoxy-2-oxoethyl)phenyl]boronic acid (454185-96-7)

Guidance literature:

In methanol; at 15 ℃; for 3h; Microwave irradiation;

DOI:10.1021/jacs.6b01376

Reference yield: 63.0%

→ [4-(2-methoxy-2-oxoethyl)phenyl]boronic acid (454185-96-7)

Guidance literature:

Reference yield:

methyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate (454185-98-9) → [4-(2-methoxy-2-oxoethyl)phenyl]boronic acid (454185-96-7)

Guidance literature:

methyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate; With 2,2'-iminobis[ethanol]; In diethyl ether; isopropyl alcohol;

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; Further stages.;

DOI:10.1021/ol0261635

upstream raw materials:

methyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

Methyl 4-hydroxyphenylacetate

(4-Trifluoromethanesulfonyloxy-phenyl)-acetic acid methyl ester

tetrahydroxydiboron

Downstream raw materials:

methyl (4-{3-[4-(1-aminocyclobutyl)phenyl]-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-2-yl}phenyl)acetate

methyl [4'-[2-[N-(tert-butoxycarbonyl)-N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1'-biphenyl-4-yl]acetate

8-{4-[2-(ethoxycarbonyl-methyl-amino)-ethyl]-2-nitro-phenoxy}-1-[4-(2-isopropoxy-5-methoxycarbonyl-phenoxy)-benzyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

3-[4-((S)-8-{4-[2-(Ethoxycarbonyl-methyl-amino)-ethyl]-2-methoxy-phenoxy}-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-phenoxy]-4-isopropoxy-benzoic acid methyl ester