2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-methyl-

Base Information

Chemical Name:2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-methyl-
CAS No.:905710-76-1
Molecular Formula:C₈H₉BO₂
Molecular Weight:147.969
Hs Code.:
European Community (EC) Number:887-223-4
ChEMBL ID:CHEMBL213941
Mol file:905710-76-1.mol

Synonyms:905710-76-1;5-methylbenzo[c][1,2]oxaborol-1(3h)-ol;2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-methyl-;5-methyl-1,3-dihydro-2,1-benzoxaborol-1-ol;1-hydroxy-5-methyl-3H-2,1-benzoxaborole;1,3-dihydro-1-hydroxy-5-methyl-2,1-benzoxaborole;SCHEMBL499992;CHEMBL213941;DPQXHKISEXZJPD-UHFFFAOYSA-N;CS-0078582;D73935;EN300-262844;Z1504670737

Suppliers and Price of 2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-methyl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
5-methyl-1,3-dihydro-2,1-benzoxaborol-1-ol
100mg
$ 350.00

AK Scientific
2,1-Benzoxaborole,1,3-dihydro-1-hydroxy-5-methyl-
5g
$ 2180.00

Total 4 raw suppliers

Chemical Property of 2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-methyl-

Chemical Property:

Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:148.0695597
Heavy Atom Count:11
Complexity:151

Purity/Quality:

98%+ ^*data from raw suppliers

5-methyl-1,3-dihydro-2,1-benzoxaborol-1-ol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:B1(C2=C(CO1)C=C(C=C2)C)O

Technology Process of 2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-methyl-

There total 8 articles about 2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-methyl- 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: 38.0%

: 1447933-43-8
2-(2-bromomethyl-4-methylphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

: 905710-76-1
1,3-dihydro-5-methyl-1-hydroxy-2,1-benzoxaborole

: 4383-07-7
2-hydroxymethyl-4-methylphenol

: 1447933-58-5
3-(bromomethyl)-5-methylbenzene-1,2-diol

Guidance literature:: With dihydrogen peroxide; In dimethyl sulfoxide; at 20 ℃; for 336h;
DOI:10.1002/chem.201300539

Reference yield:

: C₁₀H₁₅BO₄

: 905710-76-1
1,3-dihydro-5-methyl-1-hydroxy-2,1-benzoxaborole

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; at 30 ℃;
DOI:10.1021/jm0603724

Reference yield:

: 905710-68-1
4-bromo-3-(methoxymethoxymethyl)toluene

: 905710-76-1
1,3-dihydro-5-methyl-1-hydroxy-2,1-benzoxaborole

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-BuLi / tetrahydrofuran; hexane / 0.75 h / -78 °C

1.2: (i-PrO)3B / tetrahydrofuran; hexane / 1.5 h / -78 - 20 °C

1.3: aq. HCl / tetrahydrofuran; hexane

2.1: aq. HCl / tetrahydrofuran / 30 °C

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; hexane;
DOI:10.1021/jm0603724