1,3,2-Benzodioxaborole, 2-butoxy-

Base Information

• Chemical Name: 1,3,2-Benzodioxaborole, 2-butoxy-
• CAS No.: 3488-87-7
• Molecular Formula: C10H13BO3
• Molecular Weight: 192.022
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID2063052
• Nikkaji Number: J421.683K
• Wikidata: Q81990450
• Mol file: 3488-87-7.mol

Synonyms:3488-87-7;Butyl o-phenylene borate;1,3,2-Benzodioxaborole, 2-butoxy-;2-butoxy-1,3,2-benzodioxaborole;C10H13BO3;DTXSID2063052;SCHEMBL11315086;C10-H13-B-O3;2-butoxy-2H-1,3,2-benzodioxaborole;AKOS006239503

Chemical Property of 1,3,2-Benzodioxaborole, 2-butoxy-

Chemical Property:

• Vapor Pressure: 0.0772mmHg at 25°C
• Boiling Point: 235.3°C at 760 mmHg
• Flash Point: 63.2°C
• PSA: 27.69000
• Density: 1.08g/cm³
• LogP: 2.25940
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 192.0957744
• Heavy Atom Count: 14
• Complexity: 163

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3,2-Benzodioxaborole, 2-butoxy-

There total 7 articles about 1,3,2-Benzodioxaborole, 2-butoxy- 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: 62.0%

boric acid tributyl ester (688-74-4) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → catechol butyl borate (3488-87-7)

Guidance literature:

In toluene; for 17h; Heating;

DOI:10.1039/b416517a

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → catechol butyl borate (3488-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂; BCl₃ / -80 °C

2: CH₂Cl₂

With dichloromethane; boron trichloride;

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + butan-1-ol (71-36-3) → catechol butyl borate (3488-87-7)

Guidance literature:

With boric acid;

upstream raw materials:

boric acid tributyl ester

benzene-1,2-diol

butan-1-ol

2-chloro-1,3,2-benzodioxaborole

Downstream raw materials:

(C₆H₄O₂)BNC₆H₅COO-n-C₄H₉