3-(4-Nitrophenyl)-3,4-dihydro-2H-1,3-benzoxazine

Base Information

Chemical Name:3-(4-Nitrophenyl)-3,4-dihydro-2H-1,3-benzoxazine
CAS No.:117483-13-3
Molecular Formula:C14H12N2O3
Molecular Weight:256.25700
Hs Code.:
DSSTox Substance ID:DTXSID80554935
Nikkaji Number:J485.781J
Wikidata:Q82436127
Mol file:117483-13-3.mol

Synonyms:117483-13-3;3-(4-nitrophenyl)-2,4-dihydro-1,3-benzoxazine;3-(4-NITROPHENYL)-3,4-DIHYDRO-2H-BENZO[E][1,3]OXAZINE;3-(4-Nitrophenyl)-3,4-dihydro-2H-1,3-benzoxazine;DTXSID80554935

Suppliers and Price of 3-(4-Nitrophenyl)-3,4-dihydro-2H-1,3-benzoxazine

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

Total 2 raw suppliers

Chemical Property of 3-(4-Nitrophenyl)-3,4-dihydro-2H-1,3-benzoxazine

Chemical Property:

Melting Point:125-127 °C(Solv: ethanol (64-17-5))
Boiling Point:461.0±45.0 °C(Predicted)
PKA:-2.40±0.40(Predicted)
PSA：58.29000
Density:1.318±0.06 g/cm3(Predicted)
LogP:3.53950
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:256.08479225
Heavy Atom Count:19
Complexity:323

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=CC=CC=C2OCN1C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 3-(4-Nitrophenyl)-3,4-dihydro-2H-1,3-benzoxazine

There total 8 articles about 3-(4-Nitrophenyl)-3,4-dihydro-2H-1,3-benzoxazine 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: 82.0%

: 2585-26-4
4-nitro-N-benzylbenzamide

: 117483-13-3
3-(4-nitrophenyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine

Guidance literature:: With tetrabutylammonium perchlorate; In acetonitrile; at 20 ℃; for 2h; Electrochemical reaction;
DOI:10.1002/ejoc.201801021

Reference yield: 60.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 100-01-6,104810-17-5
4-nitro-aniline

: 108-95-2,27073-41-2
phenol

: 117483-13-3
3-(4-nitrophenyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine

Guidance literature:: In toluene; for 20h; Reflux;
DOI:10.1039/c6ra04420d

Reference yield:

: 788-25-0
2-((4-nitrophenylimino)methyl)phenol

: 117483-13-3
3-(4-nitrophenyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / NaBH₄ / methanol / 0.5 h / Ambient temperature

2: 89 percent / ethanol / 5 h / Heating

With sodium tetrahydroborate; In methanol; ethanol;