2-Bromo-1,3,2-benzodioxaborole

Base Information

• Chemical Name: 2-Bromo-1,3,2-benzodioxaborole
• CAS No.: 51901-85-0
• Molecular Formula: C6H4BBrO2
• Molecular Weight: 198.812
• Hs Code.: 2934999090
• European Community (EC) Number: 628-655-3
• UNII: VQ20068KEZ
• DSSTox Substance ID: DTXSID50393570
• Nikkaji Number: J510.756C
• Wikidata: Q27291956
• Mol file: 51901-85-0.mol

Synonyms:2-Bromo-1,3,2-benzodioxaborole;51901-85-0;B-Bromocatecholborane;1,3,2-Benzodioxaborole, 2-bromo-;Catechol boron bromide;o-Phenylene bromoboronate;B-Bromocatecholborane [MI];2-Bromo-1,3-2-benzodioxaborole;UNII-VQ20068KEZ;VQ20068KEZ;2-bromo-2H-1,3,2-benzodioxaborole;2-bromobenzo[d][1,3,2]dioxaborole;B-Bromocatechol-borane;BrBcat;b-bromocate-cholborane;SCHEMBL325093;DTXSID50393570;SAILTPCYIYNOEL-UHFFFAOYSA-N;2 -bromo-1,3,2 benzodioxaborole;MFCD00013341;AKOS015904554;2-Bromo-1,3,2-benzodioxaborole, 97%;AS-55607;B2132;CS-0359105;FT-0640034;F14949;Q27291956

Chemical Property of 2-Bromo-1,3,2-benzodioxaborole

Chemical Property:

• Vapor Pressure: 0.346mmHg at 25°C
• Melting Point: 51-53 °C(lit.)
• Refractive Index: 1.576
• Boiling Point: 76 °C9 mm Hg(lit.)
• Flash Point: 107 °F
• PSA: 18.46000
• Density: 1.67g/cm³
• LogP: 1.83760
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 197.94877
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

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

2-?Bromo-?1,?3,?2-?benzodioxaborole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 14-34-37
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-1,3,2-benzodioxaborole

There total 4 articles about 2-Bromo-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:

1-(benzyloxy)-2-methoxybenzene (835-79-0) → bromocatecholborane (51901-85-0) + benzyl bromide (100-39-0)

Guidance literature:

With boron tribromide; In chloroform-d1; at 20 ℃; for 0.5h;

DOI:10.1021/acs.joc.8b01628

Reference yield:

2-(2-methoxyphenoxy)-1-phenylethan-1-ol → bromocatecholborane (51901-85-0) + (1,2-dibromoethyl)benzene (102921-26-6,93-52-7)

Guidance literature:

With boron tribromide; In chloroform-d1; at 20 ℃; for 0.5h;

DOI:10.1021/acs.joc.8b01628

Reference yield:

1-methoxy-2-(2-phenylethoxy)benzene (161470-27-5) → bromocatecholborane (51901-85-0) + 1-phenyl-2-bromoethane (103-63-9)

Guidance literature:

With boron tribromide; In chloroform-d1; at 20 ℃; for 0.5h;

DOI:10.1021/acs.joc.8b01628

upstream raw materials:

(o-C₆H₄O₂)BSH

1-(benzyloxy)-2-methoxybenzene

1-methoxy-2-(2-phenylethoxy)benzene

Downstream raw materials:

catechol butyl borate

2-(4-chlorophenyl)benzo[d][1,3,2]dioxaborole

4-ethoxycarbonylB(catechol)

(4-(N,N-dimethylamino)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Refernces