(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid

Base Information

Chemical Name:(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid
CAS No.:304853-90-5
Molecular Formula:C10H12 B N O4
Molecular Weight:221.021
Hs Code.:2934999090
DSSTox Substance ID:DTXSID20450922
Nikkaji Number:J2.877.074J
Wikidata:Q82270763
Mol file:304853-90-5.mol

Synonyms:304853-90-5;(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid;(4,4-Dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-yl)boronic acid;(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)boronic acid;4,4-Dimethyl-2-oxo-2,4-dihydro-1H-benzo [d][1,3]oxazin-6-ylboronic acid;starbld0018458;SCHEMBL1743997;DTXSID20450922;QHWLPZYUNQBUGQ-UHFFFAOYSA-N;4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronic acid;(1, 4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid;(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1 -benzoxazin-6-yl) boronic acid;(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1 -benzoxazin-6-yl)boronic acid;(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzooxazin-6-yl)boronic acid;(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl) boronic acid;(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid;(1,4-dihydro4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid;(1.4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid;(4,4-dimethyl-1,4-dihydro-2-oxo-2H-3,1 -benzoxazin-6-yl)boronic acid;(4,4-dimethyl-1,4-dihydro-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid;(4,4-dimethyl-2-oxo-2,4-dihydro-1H-3,1-benzoxazin-6-yl)boronic acid;4,4-dimethyl 2 oxo -1,4-dihydro 2H-benzo[d][1,3]oxazine-6-boronic acid;4,4-dimethyl 2 oxo-1,4-dihydro 2H-benzo[d][1,3]oxazin-6-boronic acid;4,4-dimethyl 2 oxo-1,4-dihydro 2H-benzo[d][1,3]oxazine-6-boronic acid;4,4-dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-boronic acid;4,4-Dimethyl-6-(dihydroxyboryl)-1,2-dihydro-4H-3,1-benzooxazine-2-one;4,4-dimethyl 2 oxo-1,4-dihydro 2 H-benzo [d][1,3]oxazine -6-boronic acid

Suppliers and Price of (4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid

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

AccelPharmtech
4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronicacid 97.00%
25G
$ 5120.00

AccelPharmtech
4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronicacid 97.00%
1G
$ 2370.00

Total 2 raw suppliers

Chemical Property of (4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid

Chemical Property:

PSA：82.28000
LogP:-0.38720
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:221.0859380
Heavy Atom Count:16
Complexity:295

Purity/Quality:

95%-98% ^*data from raw suppliers

4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronicacid 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=CC2=C(C=C1)NC(=O)OC2(C)C)(O)O

Technology Process of (4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid

There total 2 articles about (4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)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: 81.0%

: 5419-55-6
Triisopropyl borate

: 21440-97-1
brofoxine

: 304853-90-5
(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid

Guidance literature:: brofoxine; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

Triisopropyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; hexane; at 20 ℃; Further stages.;
DOI:10.1021/jm025555e

Reference yield:

: 304853-89-2
2-(2-amino-5-bromophenyl)-propan-2-ol

: 304853-90-5
(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 100 percent / tetrahydrofuran / 50 °C

2.1: n-BuLi / tetrahydrofuran; hexane / 0.5 h / -78 °C

2.2: tetrahydrofuran; hexane / -78 - 20 °C

2.3: 81 percent / aq. hydrochloric acid / tetrahydrofuran; hexane / 20 °C

With n-butyllithium; In tetrahydrofuran; hexane;
DOI:10.1021/jm025555e

Reference yield: 84.0%

: 327056-73-5
3-fluoro-5-chlorobenzonitrile

: 304853-90-5
(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid

: 304853-30-3
PRA-910

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 85 ℃; for 3h;
DOI:10.1021/jm025555e