1-Methylnaphthalene

Base Information

• Chemical Name: 1-Methylnaphthalene
• CAS No.: 90-12-0
• Molecular Formula: C11H10
• Molecular Weight: 142.2
• Hs Code.: 29029080
• European Community (EC) Number: 201-966-8,215-329-7
• ICSC Number: 1275
• NSC Number: 3574
• UN Number: 3082,1993
• UNII: E7SK1Y1311
• DSSTox Substance ID: DTXSID9020877
• Nikkaji Number: J3.552A
• Wikipedia: 1-Methylnaphthalene
• Wikidata: Q161656,Q83104085
• Metabolomics Workbench ID: 45757
• ChEMBL ID: CHEMBL383808
• Mol file: 90-12-0.mol

Synonyms:1-methylnaphthalene

Chemical Property of 1-Methylnaphthalene

Chemical Property:

• Appearance/Colour: Colorless liquid
• Melting Point: -22 °C
• Refractive Index: n20/D 1.615(lit.)
• Boiling Point: 242.8 °C at 760 mmHg
• Flash Point: 82.2 °C
• PSA: 0.00000
• Density: 1.016 g/cm³
• LogP: 3.14820
• Water Solubility.: 0.026 g/L (25℃)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 142.078250319
• Heavy Atom Count: 11
• Complexity: 128
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn,N,T
• Hazard Codes: Xn:Harmful;;
• Statements: R22:; R51/53:
• Safety Statements: S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Naphthalenes
• Canonical SMILES: CC1=CC=CC2=CC=CC=C12
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes.
• Effects of Long Term Exposure: Repeated or prolonged inhalation may cause effects on the lungs.

Technology Process of 1-Methylnaphthalene

There total 423 articles about 1-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: 70.0%

methanol (67-56-1) + naphthalen-1-ylmethyl 4-methoxybenzoate (145224-15-3) → 1,2-di(1-naphthyl)ethane (15374-45-5) + 1-(methoxymethyl)naphthalene (5903-23-1) + 1-Methylnaphthalene (90-12-0,34475-76-8) + 4-methoxybenzoic acid (100-09-4)

Guidance literature:

Irradiation;

Reference yield: 55.0%

1-methyl-1,2,3,4-tetrahydronaphthalene (1559-81-5) → hydrogen (1333-74-0) + 1-Methylnaphthalene (90-12-0,34475-76-8)

Guidance literature:

With tetrakis(acetonitrile)palladium(II) bis(tetrafluoroborate); C₂₁H₁₃F₃NO₄PS₂; 9-(2-mesityl)-10-methylacridinium perchlorate; In dichloromethane; at 20 ℃; for 47h; Irradiation; Inert atmosphere;

DOI:10.1021/jacs.7b00253

Reference yield: 45.0%

dimethylsulfone (67-71-0) + 1,2,3,4-Tetrahydro-1-naphthol (529-33-9) → hydrogen (1333-74-0) + 1-Methylnaphthalene (90-12-0,34475-76-8)

Guidance literature:

With 1,10-Phenanthroline; potassium tert-butylate; iron(II) chloride; In toluene; at 120 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.0c01173

upstream raw materials:

(E)-1-styrylnaphthalene

1-(β,β-dimethylvinyl)naphthalene

(4-methyl-7-oxa-1-benzonorbornenyl)methyl benzoate

naphthalen-1-ylmethyl acetate

Downstream raw materials:

N-(pyrimidin-2'-yl)benzamide

2,2-dimethyl-4-(4-methyl-[1]naphthyl)-4-oxo-butyric acid

7-(toluene-4-sulfonyl)-3,7-diaza-bicyclo[3.3.1]nonane-2,4-dione

1-benzyl-4-methylnaphthalene

Refernces

• 1、 Tokoroyama,T. et al.. "-". . p. 1907 - 1913. Retrieved 1978.
• 2、 Watts,Walker. "-". . p. 484. Retrieved 1964.
• 3、 Andrews, Lester,Kelsall, Benuel J.,Blankenship, Terry A.. "Vibronic Absorption Spectra of Naphthalene and Substituted Naphthalene Cations in Solid Argon". . p. 2916 - 2926. Retrieved 1982.
• 4、 Antil, Neha,Kumar, Ajay,Akhtar, Naved,Newar, Rajashree,Begum, Wahida,Manna, Kuntal. "Metal-Organic Framework-Confined Single-Site Base-Metal Catalyst for Chemoselective Hydrodeoxygenation of Carbonyls and Alcohols". supporting information. p. 9029 - 9039. Retrieved 2021/06/28.
• 5、 -. "Preparation method of naphthalene ring C marked α .". Paragraph 0046-0047; 0049; 0056-0057; 0059; 0066-0067; 0069. . Retrieved 2021/10/05.