2-(3-Bromophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

Base Information

• Chemical Name: 2-(3-Bromophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
• CAS No.: 24314-25-8
• Molecular Formula: C13H16 Br N O
• Molecular Weight: 282.1762
• NSC Number: 160584
• DSSTox Substance ID: DTXSID801184605
• Mol file: 24314-25-8.mol

Synonyms:24314-25-8;NSC160584;DTXSID801184605;NSC-160584;2-(3-Bromophenyl)-5,6-dihydro-4,4,6-trimethyl-4H-1,3-oxazine

Chemical Property of 2-(3-Bromophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

Chemical Property:

• Vapor Pressure: 0.00016mmHg at 25°C
• Boiling Point: 341.3°C at 760 mmHg
• Flash Point: 160.2°C
• Density: 1.33g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 281.04153
• Heavy Atom Count: 16
• Complexity: 288

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(N=C(O1)C2=CC(=CC=C2)Br)(C)C

Technology Process of 2-(3-Bromophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

There total 2 articles about 2-(3-Bromophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine 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:

2-methyl-2,4-pentanediol (107-41-5) + 3-cyanobromobenzene (6952-59-6) → 2-(3-bromophenyl)-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine (24314-25-8)

Guidance literature:

With sulfuric acid; In water; at 20 ℃; for 72h;

DOI:10.1021/jm7014149

Reference yield:

4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine (26939-21-9) → 2-(3-bromophenyl)-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine (24314-25-8)

Guidance literature:

(bromination);

DOI:10.1021/ja01049a040

Reference yield:

2-(3-bromophenyl)-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine (24314-25-8) → [3-(4,6,6-trimethyl-5,6-dihydro-4H-[1,3]oxazin-2-yl)-phenyl]-magnesium bromide

Guidance literature:

With magnesium; In tetrahydrofuran; for 5h; Heating;

DOI:10.1021/ja01049a040

upstream raw materials:

4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine

2-methyl-2,4-pentanediol

3-cyanobromobenzene

Downstream raw materials:

4'-methoxy-3-(4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazin-2-yl)-benzophenone

4-methoxy-3’-carboxybenzophenone

(3-(4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazin-2-yl)phenyl)(1-trityl-1H-imidazol-4-yl)methanol