1-Acetoxy-2-methylnaphthalene

Base Information

• Chemical Name: 1-Acetoxy-2-methylnaphthalene
• CAS No.: 5697-02-9
• Molecular Formula: C13H12O2
• Molecular Weight: 200.237
• Hs Code.: 2915390090
• European Community (EC) Number: 454-690-7,634-676-9
• UNII: 6I1S02A5B9
• DSSTox Substance ID: DTXSID30205546
• Nikkaji Number: J2.649.799J
• Wikidata: Q27264937
• Mol file: 5697-02-9.mol

Synonyms:1-Acetoxy-2-methylnaphthalene;2-Methyl-1-naphthyl Acetate;5697-02-9;(2-methylnaphthalen-1-yl) Acetate;1-Naphthalenol, 2-methyl-, acetate;1-Naphthol, 2-methyl-, acetate;6I1S02A5B9;2-METHYL-1-NAPHTHOL ACETATE;1-Acetoxy-2-methylnaphthalene [INCI];1-Naphthalenol, 2-methyl-, 1-acetate;UNII-6I1S02A5B9;2-METHYLNAPHTHALEN-1-YL ACETATE;SCHEMBL453345;WVOAPRDRMLHUMI-UHFFFAOYSA-;DTXSID30205546;WVOAPRDRMLHUMI-UHFFFAOYSA-N;MFCD09038535;AKOS025402330;AC-8156;Acetic Acid 2-Methyl-1-naphthyl Ester;2-Methyl-1-naphthyl acetate, AldrichCPR;CS-0453671;FT-0694531;M1757;D91528;Q27264937;InChI=1/C13H12O2/c1-9-7-8-11-5-3-4-6-12(11)13(9)15-10(2)14/h3-8H,1-2H3

Chemical Property of 1-Acetoxy-2-methylnaphthalene

Chemical Property:

• Vapor Pressure: 0.00034mmHg at 25°C
• Melting Point: 82 °C
• Refractive Index: 1.594
• Boiling Point: 319.4 °C at 760 mmHg
• Flash Point: 112.7 °C
• PSA: 26.30000
• Density: 1.128g/cm³
• LogP: 3.07350
• Solubility.: soluble in Methanol
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.083729621
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

99.9% ^*data from raw suppliers

2-Methyl-1-naphthyl Acetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2C=C1)OC(=O)C

Technology Process of 1-Acetoxy-2-methylnaphthalene

There total 1 articles about 1-Acetoxy-2-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:

acetic acid (64-19-7,77671-22-8) + 2-Methylnaphthalene (91-57-6,34468-07-0) → 2-(acetoxymethyl)naphthalene (35480-23-0) + 1-acetoxy-2-methylnaphthalene (5697-02-9) + β-naphthaldehyde (66-99-9)

Guidance literature:

With cobalt(III) acetate; at 60 ℃; for 1h; Mechanism; Product distribution; other temperature;

Reference yield: 88.0%

1-acetoxy-2-methylnaphthalene (5697-02-9) → 2-methylnaphthalen-1-ol (7469-77-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 66 ℃; for 4h; Cooling with ice; Inert atmosphere;

DOI:10.1002/cplu.201300307

Reference yield:

1-acetoxy-2-methylnaphthalene (5697-02-9) → 3,3’-dimethyl-1,1’-binaphthalenylidene-4,4’-dione (14453-57-7)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 66 °C / Cooling with ice; Inert atmosphere

2: dihydrogen peroxide; 5% Bi/5% Pt on active charcoal / methanol; water / 0.33 h / 60 °C

With lithium aluminium tetrahydride; 5% Bi/5% Pt on active charcoal; dihydrogen peroxide; In tetrahydrofuran; methanol; water;

DOI:10.1002/cplu.201300307

upstream raw materials:

acetic acid

2-Methylnaphthalene

Downstream raw materials:

2-methylnaphthalen-1-ol

3,3’-dimethyl-1,1’-binaphthalenylidene-4,4’-dione

Refernces