(4-methoxynaphthalen-1-yl)boronic Acid

Base Information

• Chemical Name: (4-methoxynaphthalen-1-yl)boronic Acid
• CAS No.: 219834-95-4
• Molecular Formula: C11H11 B O3
• Molecular Weight: 202.018
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID40400747
• Nikkaji Number: J1.177.331A
• Wikidata: Q82203764
• Mol file: 219834-95-4.mol

Synonyms:219834-95-4;(4-methoxynaphthalen-1-yl)boronic Acid;4-Methoxynaphthalene-1-Boronic Acid;4-Methoxynaphthalen-1-ylboronic acid;(4-Methoxy-1-naphthyl)boronic acid;Boronic acid, (4-methoxy-1-naphthalenyl)-;4-methoxy-1-naphthylboronic acid;MFCD03452757;4-methoxy-1-naphthaleneboronic acid;SCHEMBL3188971;DTXSID40400747;(4-methoxynaphthalen-1-yl)boronicAcid;AKOS004116514;AB15468;AS-55650;SY107215;CS-0061977;FT-0618871;W17457;(4-Methoxy-1-naphthyl)boronic acid, AldrichCPR;EN300-7372451;A878835;J-014393;Z381541090

Chemical Property of (4-methoxynaphthalen-1-yl)boronic Acid

Chemical Property:

• Vapor Pressure: 1.37E-07mmHg at 25°C
• Melting Point: 195 °C
• Refractive Index: 1.616
• Boiling Point: 413.8°Cat760mmHg
• PKA: 9.35±0.30(Predicted)
• Flash Point: 204.1°C
• PSA: 49.69000
• Density: 1.23g/cm³
• LogP: 0.52820
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.0801244
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

(4-methoxy-1-naphthyl)boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C2=CC=CC=C12)OC)(O)O

Technology Process of (4-methoxynaphthalen-1-yl)boronic Acid

There total 6 articles about (4-methoxynaphthalen-1-yl)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: 61.0%

Trimethyl borate (121-43-7,63156-11-6) + 1-bromo-4-methoxynaphthalene (5467-58-3) + water (7732-18-5) → (4-methoxynaphthalen-1-yl)boronic acid (219834-95-4)

Guidance literature:

1-bromo-4-methoxynaphthalene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 1h; Inert atmosphere;

Trimethyl borate; In tetrahydrofuran; hexane; at 20 ℃; for 24h; Inert atmosphere;

water; With hydrogenchloride; for 1h; Inert atmosphere;

Reference yield: 53.0%

boric acid tributyl ester (688-74-4) + water (7732-18-5) + 4-methoxy-1-naphthylmagnesium bromide → (4-methoxynaphthalen-1-yl)boronic acid (219834-95-4)

Guidance literature:

react. at -60°C, hydrolysis, extractn. of dihydroxy borane from ether -soln. with 2% NaOH, pptn. with HCl;;

DOI:10.1021/ja01181a069

Reference yield: 29.0%

1-bromo-4-methoxynaphthalene (5467-58-3) → (4-methoxynaphthalen-1-yl)boronic acid (219834-95-4)

Guidance literature:

1-bromo-4-methoxynaphthalene; With n-butyllithium; In diethyl ether; hexane; at -70 ℃; for 2h; Inert atmosphere;

With Triisopropyl borate; In diethyl ether; hexane; at 20 ℃; for 16h; Inert atmosphere;

upstream raw materials:

boric acid tributyl ester

water

1-bromo-4-methoxynaphthalene

Trimethyl borate

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