1-Chloromethyl-4-methylnaphthalene

Base Information

• Chemical Name: 1-Chloromethyl-4-methylnaphthalene
• CAS No.: 5261-50-7
• Molecular Formula: C12H11Cl
• Molecular Weight: 190.672
• Hs Code.: 2903999090
• European Community (EC) Number: 674-021-4
• NSC Number: 59831
• DSSTox Substance ID: DTXSID50200593
• Nikkaji Number: J2.441.002A
• Wikidata: Q83073743
• Mol file: 5261-50-7.mol

Synonyms:1-Chloromethyl-4-methylnaphthalene;5261-50-7;1-(chloromethyl)-4-methylnaphthalene;NSC59831;SCHEMBL1503548;DTXSID50200593;QHXSBKTZBDHBKF-UHFFFAOYSA-N;MFCD00079737;NSC 59831;NSC-59831;1-methyl-4-(chloromethyl)naphthalene;AKOS006345937;FT-0676248;F78371;EN300-1966027;1-(Chloromethyl)-4-methylnaphthalene, AldrichCPR

Chemical Property of 1-Chloromethyl-4-methylnaphthalene

Chemical Property:

• Vapor Pressure: 2.82E-07mmHg at 25°C
• Melting Point: 58 °C
• Refractive Index: 1.577
• Boiling Point: 314.4 °C at 760 mmHg
• Flash Point: 138.9 °C
• PSA: 0.00000
• Density: 1.138 g/cm³
• LogP: 3.88700
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 190.0549280
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): C; T
• Hazard Codes: C,T
• Statements: 21/22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Chloromethyl-4-methylnaphthalene

There total 7 articles about 1-Chloromethyl-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%

1,4-epidioxy-1,4-dimethyl-1,4-dihydroxynaphthalene (35461-84-8) → 1-(chloromethyl)-4-methylnaphthalene (5261-50-7)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 25 ℃; for 3h;

DOI:10.1002/hlca.19850680635

Reference yield: 100.0%

1,4-dimethylnaphtalene-1,4-endoperoxide (35461-84-8) → 1-(chloromethyl)-4-methylnaphthalene (5261-50-7)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 2h;

DOI:10.1039/c39840001496

Reference yield:

4-methylnaphthalene-1-methanol (57322-44-8) → 1-(chloromethyl)-4-methylnaphthalene (5261-50-7)

Guidance literature:

With thionyl chloride; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1246/cl.200216

upstream raw materials:

chloromethyl methyl ether

1-Methylnaphthalene

formaldehyd

1,4-epidioxy-1,4-dimethyl-1,4-dihydroxynaphthalene

Downstream raw materials:

1-methoxymethyl-4-methylnaphthalenen

1,4-dimethylnaphthalene

1,2,3,4-benzenetetracaboxylic acid

C₂₃H₁₉ClN₂O₃

Refernces

• 1、 Kayashima, Yuki,Komatsuda, Masaaki,Muto, Kei,Yamaguchi, Junichiro. "Pd-catalyzed C4-Dearomative Allylation of Benzyl Ammoniums with Allyltributylstannane". supporting information. p. 836 - 839. Retrieved 2020/07/23.
• 2、 Jefford, Charles W.,Rossier, Jean-Claude,Kohmoto, Shigeo,Boukouvalas, John. "Functionalization of the Methyl Group of 1,4-Dimethyl-1,4-dihydronaphthalene-1,4-endoperoxide". . p. 1496 - 1497. Retrieved 2007/10/02.