2-Bromo-7-methylnaphthalene

Base Information

• Chemical Name: 2-Bromo-7-methylnaphthalene
• CAS No.: 187746-76-5
• Molecular Formula: C11H9Br
• Molecular Weight: 221.096
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID20571424
• Nikkaji Number: J812.007B
• Wikidata: Q82459504
• Mol file: 187746-76-5.mol

Synonyms:2-bromo-7-methylnaphthalene;187746-76-5;2-bromo-7-methyl-naphthalene;Naphthalene, 2-bromo-7-methyl-;SCHEMBL4322069;DTXSID20571424;QPVFMEFJFFQONP-UHFFFAOYSA-N;MFCD17012536;AKOS016003034;AS-50047;AM20030232;EN300-207166;O10697

Chemical Property of 2-Bromo-7-methylnaphthalene

Chemical Property:

• PSA: 0.00000
• LogP: 3.91070
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 219.98876
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-7-methylnaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C=CC(=C2)Br

Technology Process of 2-Bromo-7-methylnaphthalene

There total 3 articles about 2-Bromo-7-methylnaphthalene 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:

1-Bromo-3-((E)-4,4-diethoxy-2-methyl-but-1-enyl)-benzene → 1-bromo-6-methylnaphthalene (68251-76-3) + 2-bromo-7-methylnaphthalene (187746-76-5)

Guidance literature:

With hydrogen bromide; at 95 ℃; for 2h;

DOI:10.1021/jm049256w

Reference yield:

triphenylphosphine (603-35-0) → 2-bromo-7-methylnaphthalene (187746-76-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 48percent aq. HBr / 1.) CH₂Cl₂, EtOH, a) -10 deg C, 12 h, b) RT, 3 h, 2.) CH₂Cl₂, from 0 deg C to RT, 3 h

2: 1.) BuLi / 1.) THF, hexane, from -60 deg C to 0 deg C, 30 min, 2.) THF, hexane, RT, 16 h

With n-butyllithium; hydrogen bromide;

DOI:10.1055/s-1997-1498

Reference yield:

m-bromobenzoic aldehyde (3132-99-8) + (1,1-diethoxy-3-butyl)triphenylphosphonium bromide → 2-bromo-7-methylnaphthalene (187746-76-5)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) THF, hexane, from -60 deg C to 0 deg C, 30 min, 2.) THF, hexane, RT, 16 h;

DOI:10.1055/s-1997-1498

upstream raw materials:

m-bromobenzoic aldehyde

triphenylphosphine

Downstream raw materials:

7-bromonaphthalene-2-carbaldehyde

7-bromo-2-methyl-1-(2,4,6-trimethylphenyl)naphthalene