1-Bromo-3-methylnaphthalene

Base Information

• Chemical Name: 1-Bromo-3-methylnaphthalene
• CAS No.: 54357-18-5
• Molecular Formula: C11H9Br
• Molecular Weight: 221.096
• Hs Code.: 2903999090
• European Community (EC) Number: 819-909-6
• DSSTox Substance ID: DTXSID70305751
• Nikkaji Number: J2.485.763H
• Wikidata: Q82052482
• Mol file: 54357-18-5.mol

Synonyms:1-bromo-3-methylnaphthalene;54357-18-5;4-Bromo-2-methylnaphthalene;SCHEMBL2519793;DTXSID70305751;ZZGLLXBRLJUZQA-UHFFFAOYSA-N;MFCD17012314;AKOS016013859;CS-W007270;AS-58998;FT-0732504;EN300-109262;N10649;Z1269179491

Chemical Property of 1-Bromo-3-methylnaphthalene

Chemical Property:

• Boiling Point: 127 °C(Press: 3.5 Torr)
• PSA: 0.00000
• Density: 1.417±0.06 g/cm3(Predicted)
• 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:

99% ^*data from raw suppliers

1-Bromo-3-methylnaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=CC=CC=C2C(=C1)Br

Technology Process of 1-Bromo-3-methylnaphthalene

There total 1 articles about 1-Bromo-3-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: 57.0%

1,2-dibromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalene → bromo-4 methyl-2 naphtalene (54357-18-5) + 2-bromomethylnaphthyl bromide (939-26-4)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 60 - 70 ℃; for 3h;

DOI:10.1016/j.tet.2007.05.124

Reference yield:

ethyl N-(4-{(1R)-1-[(R)-(4-chlorophenyl)(hydroxy)methyl]butyl}benzoyl)-β-alaninate (1232143-68-8) + bromo-4 methyl-2 naphtalene (54357-18-5) → ethyl N-(4-{(1S)-1-[(4-chlorophenyl)(5-bromo-7-methyl-1-naphthyl)methyl]butyl}benzoyl)-β-alaninate

Guidance literature:

With trifluoroacetic acid; at 20 ℃;

Reference yield:

bromo-4 methyl-2 naphtalene (54357-18-5) → 2-<1-(3-Methylnaphthyl)-methyl>-benzoesaeure (35187-42-9)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Mg, Et₂O, benzene, (ii) /BRN= 118515/

2: Zn-Cu, aq. NaOH / Heating

With sodium hydroxide; copper; zinc;

DOI:10.1021/jm00292a013

Downstream raw materials:

2-<1-(3-Methylnaphthoyl)>benzoesaeure

6-Methyl-2-<1-(3-methylnaphthoyl)>benzoesaeure

2-(3-Methyl-1-naphthyl)-3-methyl-benzoesaeure

2-<1-(3-Methylnaphthyl)-methyl>-benzoesaeure

Refernces