2-(4-Bromobutyl)-1,3,2-benzodioxaborole

Base Information

• Chemical Name: 2-(4-Bromobutyl)-1,3,2-benzodioxaborole
• CAS No.: 142172-51-8
• Molecular Formula: C10H12 B Br O2
• Molecular Weight: 254.919
• Hs Code.: 2934999090
• European Community (EC) Number: 627-967-7
• DSSTox Substance ID: DTXSID70393678
• Nikkaji Number: J1.383.495D
• Wikidata: Q82192533
• Mol file: 142172-51-8.mol

Synonyms:2-(4-Bromobutyl)-1,3,2-benzodioxaborole;142172-51-8;2-(4-Bromobutyl)benzo[d][1,3,2]dioxaborole;4-Bromo-1-butylboronic acid catechol ester;1,3,2-Benzodioxaborole, 2-(4-bromobutyl)-;SCHEMBL3420504;AMY1082;DTXSID70393678;OCRCQJNMXARNMQ-UHFFFAOYSA-N;MFCD01863716;AKOS015836141;AS-47611;CS-0175274;2-(4-bromobutyl)-2H-1,3,2-benzodioxaborole;F14635;2-(4-BROMOBUTYL)-1 3 2-BENZODIOXABOROLE;4-Bromo-1-butylboronic acid catechol ester, 96%;J-007613

Chemical Property of 2-(4-Bromobutyl)-1,3,2-benzodioxaborole

Chemical Property:

• Vapor Pressure: 0.00183mmHg at 25°C
• Refractive Index: n20/D 1.5362(lit.)
• Boiling Point: 301.9°C at 760 mmHg
• Flash Point: 221 °F
• PSA: 18.46000
• Density: 1.38g/cm³
• LogP: 3.12110
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 254.01137
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Bromobutyl)-1,3,2-benzodioxaborole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC2=CC=CC=C2O1)CCCCBr

Technology Process of 2-(4-Bromobutyl)-1,3,2-benzodioxaborole

There total 2 articles about 2-(4-Bromobutyl)-1,3,2-benzodioxaborole 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: 88.0%

1-bromo-4-butene (5162-44-7) + benzo[1,3,2]dioxaborole (274-07-7) → 4-bromo-1-butylboronic acid catechol ester (142172-51-8)

Guidance literature:

at 95 ℃; for 18h;

DOI:10.1016/S0040-4039(00)00973-4

Reference yield:

2,2'-bis(1,3,2-benzodioxaborole) (13826-27-2) + 1,3-dioxoisoindolin-2-yl 5-bromopentanoate → 4-bromo-1-butylboronic acid catechol ester (142172-51-8)

Guidance literature:

With N,N-dimethyl acetamide; for 14h; Irradiation;

DOI:10.1126/science.aan3679

Reference yield: 99.0%

2,3-dimethyl-2,3-butane diol (76-09-5) + 4-bromo-1-butylboronic acid catechol ester (142172-51-8) → 2-(4-bromobutyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (124215-50-5)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

upstream raw materials:

1-bromo-4-butene

benzo[1,3,2]dioxaborole

2,2'-bis(1,3,2-benzodioxaborole)

Downstream raw materials:

2-(4-bromobutyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

1-Bromo-4-phenylbutane