1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol

Base Information

• Chemical Name: 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol
• CAS No.: 3534-74-5
• Molecular Formula: C19H17Br2NO2
• Molecular Weight: 451.1518
• NSC Number: 88852
• DSSTox Substance ID: DTXSID50293349
• Nikkaji Number: J1.228.581G
• Wikidata: Q82032046
• Pharos Ligand ID: WWRY6X4UNWJG
• ChEMBL ID: CHEMBL1318316
• Mol file: 3534-74-5.mol

Synonyms:NSC88852;3534-74-5;NSC-88852;1-(((3,5-dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol;NCIStruc1_001365;NCIStruc2_001698;CHEMBL1318316;SCHEMBL12786135;DTXSID50293349;NCI88852;CCG-37312;NCGC00013929;NCGC00013929-02;NCGC00097038-01;NCI60_041968

Chemical Property of 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol

Chemical Property:

• Vapor Pressure: 1.72E-11mmHg at 25°C
• Boiling Point: 521.4°Cat760mmHg
• Flash Point: 269.1°C
• Density: 1.67g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 450.96055
• Heavy Atom Count: 24
• Complexity: 411

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1=C(C(=CC(=C1)Br)Br)O)CC2=C(C=CC3=CC=CC=C32)O

Technology Process of 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol

There total 2 articles about 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol 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: 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

Reference yield:

→ N-((2-hydroxy-3,5-dibromo-1-methylbenzyl)-N-(2-hydroxy-1-naphthylmethyl)methyl)amine (3534-74-5)

Guidance literature:

3-Methyl-6.8-dibrom-3.4-dihydro-2H-1.3-benzoxazin, 2-Naphthol, Me.;

DOI:10.1021/jo01021a037

upstream raw materials:

N-methyl-2,3-dihydro-1H-6,8-dibromobenzyl[1,2-e][1,3]oxazine

β-naphthol

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