2-Bromo-3-methylnaphthalene

Base Information

• Chemical Name: 2-Bromo-3-methylnaphthalene
• CAS No.: 939-15-1
• Molecular Formula: C11H9Br
• Molecular Weight: 221.096
• Hs Code.: 2903999090
• NSC Number: 122688
• DSSTox Substance ID: DTXSID20298366
• Nikkaji Number: J1.347.021I
• Wikidata: Q82040138
• Mol file: 939-15-1.mol

Synonyms:2-bromo-3-methylnaphthalene;939-15-1;NSC122688;3-Bromo-2-methylnaphthalene;2-Bromo-3-methyl naphthalene;SCHEMBL8153225;DTXSID20298366;MFCD11504948;AKOS015835937;NSC-122688;BS-22848;CS-0207883;EN300-171358

Chemical Property of 2-Bromo-3-methylnaphthalene

Chemical Property:

• Vapor Pressure: 0.00195mmHg at 25°C
• Boiling Point: 300.9°Cat760mmHg
• Flash Point: 137.4°C
• PSA: 0.00000
• Density: 1.417g/cm³
• LogP: 3.91070
• 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:

95% ^*data from raw suppliers

2-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=C1Br

Technology Process of 2-Bromo-3-methylnaphthalene

There total 1 articles about 2-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:

1a-endo-bromo-7a-endo-chloro-2,7-epoxy-1a,2,7,7a-tetrahydro-1H-cyclopropanaphthalene → 1H-cyclopropa[b]naphthalene (286-85-1) + 2-chloro-3-methylnaphthalene (62956-38-1) + 2-bromo-3-methylnaphthalene (939-15-1) + 2-Methylnaphthalene (91-57-6,34468-07-0)

Guidance literature:

With lithium aluminium tetrahydride; titanium(III) chloride; In tetrahydrofuran; for 2h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1002/hlca.19890720721

Reference yield: 79.0%

2-(N,N-diethylaminocarbonyl)phenylboronic acid (129112-21-6) + 2-bromo-3-methylnaphthalene (939-15-1) → N,N-diethyl 2-(3'-methylnaphth-2'-yl)benzamide (120270-45-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; Heating;

DOI:10.1139/v00-055

Reference yield: 74.0%

2-bromo-3-methylnaphthalene (939-15-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-methyl-2-naphthaldehyde (17893-94-6)

Guidance literature:

2-bromo-3-methylnaphthalene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.0333333h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 ℃; for 0.75h;

Downstream raw materials:

N,N-diethyl 2-(3'-methylnaphth-2'-yl)benzamide

5-hydroxybenzanthracene

3-bromo-2-naphthalenecarboxaldehyde

1,4-naphthacenequinone

Refernces