(3-Bromo-5-butoxyphenyl)boronic acid

Base Information

• Chemical Name: (3-Bromo-5-butoxyphenyl)boronic acid
• CAS No.: 1072951-84-8
• Molecular Formula: C10H14BBrO3
• Molecular Weight: 272.93
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID10584765
• Nikkaji Number: J3.084.538B
• Wikidata: Q82476479
• Mol file: 1072951-84-8.mol

Synonyms:1072951-84-8;3-Bromo-5-butoxyphenylboronic acid;(3-Bromo-5-butoxyphenyl)boronic acid;(3-Bromo-5-butoxyphenyl)boronicacid;DTXSID10584765;XSB95184;MFCD08457637;AKOS015834615;BS-22502;CS-0175932;E90135

Chemical Property of (3-Bromo-5-butoxyphenyl)boronic acid

Chemical Property:

• Melting Point: 116-123 °C
• PSA: 49.69000
• LogP: 1.30780
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 272.02194
• Heavy Atom Count: 15
• Complexity: 180

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-5-butoxyphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC(=C1)Br)OCCCC)(O)O

Technology Process of (3-Bromo-5-butoxyphenyl)boronic acid

There total 2 articles about (3-Bromo-5-butoxyphenyl)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:

1,3-dibromo-5-butoxylbenzene → 3-bromo-5-butoxyphenylboronic acid (1072951-84-8)

Guidance literature:

1,3-dibromo-5-butoxylbenzene; With n-butyllithium; In tetrahydrofuran;

With Trimethyl borate; In diethyl ether;

DOI:10.1002/aoc.2865

Reference yield:

1,3,5-trisbromobenzene (626-39-1) → 3-bromo-5-butoxyphenylboronic acid (1072951-84-8)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 10 h / 80 °C

2: n-butyllithium / tetrahydrofuran

With n-butyllithium; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1002/aoc.2865

Reference yield: 83.0%

3-bromo-5-butoxyphenylboronic acid (1072951-84-8) + 2-amino-6-bromopurine (82499-03-4) → 2-amino-6-(3-bromo-5-butoxyphenyl)-9H-purine

Guidance literature:

With palladium diacetate; caesium carbonate; In water; acetonitrile; at 150 ℃; Inert atmosphere; Microwave irradiation;

DOI:10.1021/jm501893k

upstream raw materials:

1,3,5-trisbromobenzene