6-bromo-2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one

Base Information

Chemical Name:6-bromo-2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one
CAS No.:133001-95-3
Molecular Formula:C₁₀H₁₀BrNO₂
Molecular Weight:256.099
Hs Code.:
European Community (EC) Number:893-830-5
ChEMBL ID:CHEMBL4988446
Nikkaji Number:J724.350B

Synonyms:133001-95-3;6-bromo-2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one;6-bromo-2,2-dimethyl-3H-1,3-benzoxazin-4-one;SCHEMBL9379811;CHEMBL4988446;AKOS026660345;EN300-212454;Z1861999620

Suppliers and Price of 6-bromo-2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one

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
6-bromo-2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one
50mg
$ 200.00

Total 2 raw suppliers

Chemical Property of 6-bromo-2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one

Chemical Property:

Melting Point:177 - 179 °C (hexane)
PSA：38.33000
LogP:2.63620
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:254.98949
Heavy Atom Count:14
Complexity:255

Purity/Quality:

99% ^*data from raw suppliers

6-bromo-2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(NC(=O)C2=C(O1)C=CC(=C2)Br)C

Technology Process of 6-bromo-2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one

There total 5 articles about 6-bromo-2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one 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:

: 6329-74-4
5-bromo-2-hydroxybenzamide

: 77-76-9
2,2-dimethoxy-propane

: 133001-95-3
2,2-dimethyl-6-bromo-3,4-dihydro-2H-1,3-benzoxazin-4-one

Guidance literature:: With toluene-4-sulfonic acid; In acetone; for 24h; Yield given; Heating;
DOI:10.1248/cpb.44.734

Reference yield:

: 89-55-4
5-bromosalicyclic acid

: 133001-95-3
2,2-dimethyl-6-bromo-3,4-dihydro-2H-1,3-benzoxazin-4-one

Guidance literature:: Multi-step reaction with 4 steps

1: 0.5 h / Heating

2: oxalyl chloride / dimethylformamide; tetrahydrofuran / 1 h / Ambient temperature

3: conc. aq. NH₃ / tetrahydrofuran / 2 h / Ambient temperature

4: p-TsOH*H₂O / acetone / 24 h / Heating

With ammonium hydroxide; oxalyl dichloride; toluene-4-sulfonic acid; In tetrahydrofuran; N,N-dimethyl-formamide; acetone;
DOI:10.1248/cpb.44.734

Reference yield:

: 1503-53-3
2-acetyloxy-5-bromobenzoic acid

: 133001-95-3
2,2-dimethyl-6-bromo-3,4-dihydro-2H-1,3-benzoxazin-4-one

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl chloride / dimethylformamide; tetrahydrofuran / 1 h / Ambient temperature

2: conc. aq. NH₃ / tetrahydrofuran / 2 h / Ambient temperature

3: p-TsOH*H₂O / acetone / 24 h / Heating

With ammonium hydroxide; oxalyl dichloride; toluene-4-sulfonic acid; In tetrahydrofuran; N,N-dimethyl-formamide; acetone;
DOI:10.1248/cpb.44.734