3-(4-Bromophenyl)-2H-1,4-benzoxazine

Base Information

• Chemical Name: 3-(4-Bromophenyl)-2H-1,4-benzoxazine
• CAS No.: 61821-71-4
• Molecular Formula: C14H10BrNO
• Molecular Weight: 288.143
• Hs Code.: 2934999090
• European Community (EC) Number: 636-384-7
• DSSTox Substance ID: DTXSID10354925
• Nikkaji Number: J1.369.411G
• Wikidata: Q82133424
• Mol file: 61821-71-4.mol

Synonyms:3-(4-BROMOPHENYL)-2H-BENZO[B][1,4]OXAZINE;61821-71-4;3-(4-Bromophenyl)-2H-1,4-benzoxazine;3-(4-Bromophenyl)-2H-1,4-benzodioxazine;SCHEMBL17634181;DTXSID10354925;MFCD00491937;AKOS000638993;3-(4-Bromophenyl)-2H-1,4-benzoxazine, 98%;3-(4-BROMOPHENYL)-2H-14-BENZOXAZINE9&

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

Chemical Property:

• Vapor Pressure: 1.72E-05mmHg at 25°C
• Melting Point: 165-168oC(lit.)
• Boiling Point: 375.1oC at 760 mmHg
• Flash Point: 180.7oC
• PSA: 21.59000
• Density: 1.46g/cm3
• LogP: 3.39790
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 286.99458
• Heavy Atom Count: 17
• Complexity: 297

Purity/Quality:

98%Min ^*data from raw suppliers

3-(4-Bromophenyl)-2H-1,4-benzoxazine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C(=NC2=CC=CC=C2O1)C3=CC=C(C=C3)Br

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

There total 4 articles about 3-(4-Bromophenyl)-2H-1,4-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: 85.0%

1-(4-Bromo-phenyl)-2-(2-nitro-phenoxy)-ethanone → 3-(4-bromophenyl)-2H-benzo[b][1,4]oxazine (61821-71-4)

Guidance literature:

With samarium; titanium tetrachloride; In tetrahydrofuran; at 20 ℃; for 0.166667h;

Reference yield: 85.0%

2-amino-phenol (95-55-6) + para-bromophenacyl bromide (99-73-0,132309-76-3) → 3-(4-bromophenyl)-2H-benzo[b][1,4]oxazine (61821-71-4)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; In dichloromethane; water; at 20 ℃; for 24h;

DOI:10.1002/ejoc.201500330

Reference yield:

2-(2-acetylamino-phenoxy)-1-(4-bromo-phenyl)-ethanone (61821-70-3) → 3-(4-bromophenyl)-2H-benzo[b][1,4]oxazine (61821-71-4)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1016/0040-4020(76)80100-7

upstream raw materials:

2-(2-acetylamino-phenoxy)-1-(4-bromo-phenyl)-ethanone

2-amino-phenol

para-bromophenacyl bromide

para-bromoacetophenone

Downstream raw materials:

(3R)-3-(4-bromophenyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine

(3S)-3-(4-bromophenyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine

3-(4-bromophenyl)-2H-benzo[b][1,4]oxazin-2-one

meso-3,3'-bis-(4-bromo-phenyl)-2H,2'H-2,2'-oxy-bis-benzo[1,4]oxazine

Refernces

• 1、 Zhu, Chengfeng,Luan, Jichao,Fang, Jun,Zhao, Xu,Wu, Xiang,Li, Yougui,Luo, Yunfei. "A Rhodium-Catalyzed [3 + 2] Annulation of General Aromatic Aldimines/Ketimines and N-Substituted Maleimides". supporting information. . Retrieved 2018/09/27.
• 2、 Zhang, Yiliang,Zhao, Rong,Bao, Robert Li-Yuan,Shi, Lei. "Highly enantioselective spinol-derived phosphoric acid catalyzed transfer hydrogenation of diverse C=N-containing heterocycles". supporting information. p. 3344 - 3351. Retrieved 2015/05/20.