1-Bromo-4-hexyloxynaphthalene

Base Information

• Chemical Name: 1-Bromo-4-hexyloxynaphthalene
• CAS No.: 66052-08-2
• Molecular Formula: C16H19 Br O
• Molecular Weight: 307.23
• European Community (EC) Number: 266-091-6
• DSSTox Substance ID: DTXSID30984521
• Nikkaji Number: J349.327J
• Wikidata: Q82971781
• Mol file: 66052-08-2.mol

Synonyms:1-Bromo-4-hexyloxynaphthalene;66052-08-2;EINECS 266-091-6;1-BROMO-4-(HEXYLOXY)NAPHTHALENE;Naphthalene,1-bromo-4-(hexyloxy)-;C16-H19-Br-O;DTXSID30984521

Chemical Property of 1-Bromo-4-hexyloxynaphthalene

Chemical Property:

• Vapor Pressure: 5.24E-06mmHg at 25°C
• Boiling Point: 392.3°Cat760mmHg
• Flash Point: 157°C
• PSA: 9.23000
• Density: 1.247g/cm³
• LogP: 5.56140
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 306.06193
• Heavy Atom Count: 18
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C2=CC=CC=C21)Br

Technology Process of 1-Bromo-4-hexyloxynaphthalene

There total 4 articles about 1-Bromo-4-hexyloxynaphthalene 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: 78.4%

1-bromo-hexane (111-25-1) + 4-bromo-1-naphthol (571-57-3) → 1-bromo-4-(hexyloxy)naphthalene (66052-08-2)

Guidance literature:

With potassium carbonate; In acetonitrile; Reflux;

DOI:10.1021/jacs.0c08137

Reference yield:

1-(hexyloxy)naphthalene (60951-03-3) → 1-bromo-4-(hexyloxy)naphthalene (66052-08-2)

Guidance literature:

With CuBr₂-Kieselguhr; In benzene; at 30 ℃; for 3h;

DOI:10.1039/a704445c

Reference yield:

α-naphthol (90-15-3) → 1-bromo-4-(hexyloxy)naphthalene (66052-08-2)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide / acetonitrile / 4.5 h / 20 °C

2: potassium carbonate / acetonitrile / Reflux

With N-Bromosuccinimide; potassium carbonate; In acetonitrile;

DOI:10.1021/jacs.0c08137

upstream raw materials:

1-(hexyloxy)naphthalene

α-naphthol

1-bromo-hexane

4-bromo-1-naphthol

Downstream raw materials:

4-hexyloxy-[1]naphthonitrile