6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine

Base Information

• Chemical Name: 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine
• CAS No.: 35183-34-7
• Molecular Formula: C9H9 Br2 N O
• Molecular Weight: 306.9819
• NSC Number: 85460
• DSSTox Substance ID: DTXSID60956630
• Nikkaji Number: J1.228.583C
• Wikidata: Q82936730
• Mol file: 35183-34-7.mol

Synonyms:35183-34-7;6,8-dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine;2H-1,3-Benzoxazine,6,8-dibromo-3,4-dihydro-3-methyl-;NSC85460;NCIOpen2_009416;6,8-dibromo-3-methyl-2,4-dihydro-1,3-benzoxazine;DTXSID60956630;NSC-85460

Chemical Property of 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine

Chemical Property:

• Vapor Pressure: 0.000232mmHg at 25°C
• Boiling Point: 325.3°C at 760 mmHg
• Flash Point: 150.6°C
• Density: 1.798g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 306.90304
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC2=C(C(=CC(=C2)Br)Br)OC1

Technology Process of 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine

There total 2 articles about 6,8-Dibromo-3-methyl-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: 51.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,4-dibromophenol (615-58-7) + methylamine (74-89-5) → N-methyl-2,3-dihydro-1H-6,8-dibromobenzyl[1,2-e][1,3]oxazine (35183-34-7)

Guidance literature:

In methanol; water; for 12h; Heating;

DOI:10.1016/S0022-328X(99)00510-0

Reference yield:

→ N-methyl-2,3-dihydro-1H-6,8-dibromobenzyl[1,2-e][1,3]oxazine (35183-34-7)

Guidance literature:

2.4-Dibrom-phenol, CH2O, CH3-NH2;

DOI:10.1021/jm00341a004

Reference yield: 81.0%

N-methyl-2,3-dihydro-1H-6,8-dibromobenzyl[1,2-e][1,3]oxazine (35183-34-7) + β-naphthol (135-19-3) → N-((2-hydroxy-3,5-dibromo-1-methylbenzyl)-N-(2-hydroxy-1-naphthylmethyl)methyl)amine (3534-74-5)

Guidance literature:

In methanol; dichloromethane; at 20 ℃;

DOI:10.1016/S0022-328X(99)00510-0

upstream raw materials:

formaldehyd

2,4-dibromophenol

methylamine

Downstream raw materials:

N-((2-hydroxy-3,5-dibromo-1-methylbenzyl)-N-(2-hydroxy-1-naphthylmethyl)methyl)amine

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