6-(tert-butyl)-2H-1,4-benzoxazin-3(4H)-one

Base Information

Chemical Name:6-(tert-butyl)-2H-1,4-benzoxazin-3(4H)-one
CAS No.:6238-96-6
Molecular Formula:C₁₂H₁₅NO₂
Molecular Weight:205.257
Hs Code.:2934999090
DSSTox Substance ID:DTXSID40408607
Nikkaji Number:J2.794.371C
Mol file:6238-96-6.mol

Synonyms:6238-96-6;6-(tert-butyl)-2H-1,4-benzoxazin-3(4H)-one;6-(tert-Butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one;6-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-2H-1,4-benzoxazin-3(4H)-one;6-tert-butyl-2H-benzo[b][1,4]oxazin-3(4H)-one;MFCD03830266;6-tert-Butyl-4H-benzo[1,4]oxazin-3-one;ChemDiv3_013257;SCHEMBL760564;DTXSID40408607;RBEMVEIJGYOVMA-UHFFFAOYSA-N;HMS1510K13;AC6487;CCG-34186;AKOS000421109;SY130711;BB 0242168;CS-0313163;FT-0680424;4Z-0811;A868482;SR-01000144066;J-518111;SR-01000144066-1;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-one;BRD-K46716279-001-01-4

Suppliers and Price of 6-(tert-butyl)-2H-1,4-benzoxazin-3(4H)-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-(tert-butyl)-2H-1,4-benzoxazin-3(4H)-one
50mg
$ 155.00

TRC
6-(tert-butyl)-2H-1,4-benzoxazin-3(4H)-one
10mg
$ 45.00

Matrix Scientific
6-(tert-Butyl)-2H-1,4-benzoxazin-3(4H)-one >95%
1g
$ 304.00

Matrix Scientific
6-(tert-Butyl)-2H-1,4-benzoxazin-3(4H)-one >95%
500mg
$ 244.00

Heterocyclics
6-Tert-Butyl-2H-benzo[b][1,4]oxazin-3(4H)-one 95%
1g
$ 225.00

Heterocyclics
6-Tert-Butyl-2H-benzo[b][1,4]oxazin-3(4H)-one 95%
5g
$ 550.00

Crysdot
6-(tert-Butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 95+%
1g
$ 301.00

Chemenu
6-(tert-Butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 95%
1g
$ 284.00

American Custom Chemicals Corporation
6-(TERT-BUTYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE 95.00%
1G
$ 771.89

American Custom Chemicals Corporation
6-(TERT-BUTYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE 95.00%
500MG
$ 720.84

Total 14 raw suppliers

Chemical Property of 6-(tert-butyl)-2H-1,4-benzoxazin-3(4H)-one

Chemical Property:

Vapor Pressure:6.47E-05mmHg at 25°C
Melting Point:149-151°
Boiling Point:344.7°C at 760 mmHg
PKA:12.77±0.20(Predicted)
Flash Point:162.3°C
PSA：38.33000
Density:1.1g/cm³
LogP:2.45300
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:205.110278721
Heavy Atom Count:15
Complexity:257

Purity/Quality:

97% ^*data from raw suppliers

6-(tert-butyl)-2H-1,4-benzoxazin-3(4H)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2

Technology Process of 6-(tert-butyl)-2H-1,4-benzoxazin-3(4H)-one

There total 5 articles about 6-(tert-butyl)-2H-1,4-benzoxazin-3(4H)-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: 80.0%

: 38941-98-9
4-tert-butyl-2-iodophenol

: 79-07-2
Chloroacetamide

: 6238-96-6
2H-2,3-dihydro-6-(1,1-dimethylethyl)benzo[b]-1,4-oxazin-3-one

Guidance literature:: With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate; In 1,4-dioxane; at 90 ℃; for 24h; Inert atmosphere;
DOI:10.1039/b906210f

Reference yield: 62.0%

: 88530-52-3
methyl (4-(1,1-dimethylethyl)phenoxy)acetate

: 6238-96-6
2H-2,3-dihydro-6-(1,1-dimethylethyl)benzo[b]-1,4-oxazin-3-one

Guidance literature:: methyl (4-(1,1-dimethylethyl)phenoxy)acetate; With pyridine; trifluorormethanesulfonic acid; tetrabutylammonium tetrafluoroborate; In acetonitrile; Electrochemical reaction;

With piperidine; In acetonitrile; at 80 ℃; for 12h;
DOI:10.1002/chem.201701979