1-Bromo-4-methylnaphthalene

Base Information

• Chemical Name: 1-Bromo-4-methylnaphthalene
• CAS No.: 6627-78-7
• Molecular Formula: C11H9Br
• Molecular Weight: 221.096
• Hs Code.: 2903999090
• European Community (EC) Number: 229-599-9
• NSC Number: 60231
• DSSTox Substance ID: DTXSID20216469
• Nikkaji Number: J225.225B
• Wikidata: Q72447431
• Mol file: 6627-78-7.mol

Synonyms:1-Bromo-4-methylnaphthalene;6627-78-7;1-Methyl-4-bromonaphthalene;Naphthalene, 1-bromo-4-methyl-;4-Bromo-1-methylnaphthalene;MFCD00003872;4-Methyl-1-bromonaphthalene;EINECS 229-599-9;Naphthalene,1-bromo-4-methyl-;NSC60231;1-bromo-4methylnaphthalene;SCHEMBL570484;IDRVLLRKAAHOBP-UHFFFAOYSA-;DTXSID20216469;1-Bromo-4-methylnaphthalene, 98%;NSC 60231;NSC-60231;AKOS009156434;AS-60138;SY033075;B6185;CS-0059152;FT-0607508;EN300-134555;A835400;(5E)-1-(4-bromophenyl)-5-[(4-fluoroanilino)methylene]hexahydropyrimidine-2,4,6-trione

Chemical Property of 1-Bromo-4-methylnaphthalene

Chemical Property:

• Appearance/Colour: COLORLESS TO YELLOW LIQUID
• Melting Point: 127-128℃
• Refractive Index: n20/D 1.651(lit.)
• Boiling Point: 303.7 °C at 760 mmHg
• Flash Point: 139.2 °C
• PSA: 0.00000
• Density: 1.419 g/mL at 25 °C(lit.)
• LogP: 3.91070
• Storage Temp.: Room temperature.
• Water Solubility.: Sparingly Soluble in water. (1.9E-3 g/L) (25°C).
• 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:

98%,99%, ^*data from raw suppliers

1-Bromo-4-methylnaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C2=CC=CC=C12)Br

Technology Process of 1-Bromo-4-methylnaphthalene

There total 15 articles about 1-Bromo-4-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: 100.0%

1-Methylnaphthalene (90-12-0,34475-76-8) → 1-bromo-4-methylnaphthalene (6627-78-7)

Guidance literature:

With aluminum oxide; copper(ll) bromide; In tetrachloromethane; at 50 ℃; for 2h;

DOI:10.1021/jo00244a046

Reference yield: 86.0%

1-iodo-4-bromo-naphthalene (63279-58-3) + methylmagnesium bromide (75-16-1) → 1-bromo-4-methylnaphthalene (6627-78-7)

Guidance literature:

With C₇₂H₆₃P₆Pd₃⁽¹⁺⁾*I^(1-); In tetrahydrofuran; toluene; at 20 ℃; for 6h; chemoselective reaction; Inert atmosphere; Glovebox;

DOI:10.1002/anie.201811380

Reference yield: 84.0%

2-(bromomethyl)naphthalene (3163-27-7) → 1-bromo-4-methylnaphthalene (6627-78-7) + 1-Cyanonaphthalene (86-53-3)

Guidance literature:

With ammonium hydroxide; iodine; at 20 - 60 ℃; for 4h; Time;

DOI:10.1021/ol401906q

upstream raw materials:

1-Methylnaphthalene

acetic acid

carbon disulfide

bromine

Downstream raw materials:

4-bromonaphthalene-1-carboxylic acid

1,4-dimethylnaphthalene

3-methyl-1-cyanonaphthalene

1-bromo-4-bromomethyl-naphthalene

Refernces

• 1、 Komatsuda, Masaaki,Muto, Kei,Yamaguchi, Junichiro,Yanagimoto, Aika. "Dearomative Allylation of Naphthyl Cyanohydrins by Palladium Catalysis: Catalyst-Enhanced Site Selectivity". supporting information. p. 3423 - 3427. Retrieved 2020/04/20.
• 2、 -. "METHOD FOR PREPARING URATE TRANSPORTER 1 INHIBITOR". Paragraph 0084-0085; 0083; 0100-0101; 0099; 0116-0117; 0115. . Retrieved 2019/08/22.