Naphthalen-2-yl hexanoate

Base Information

• Chemical Name: Naphthalen-2-yl hexanoate
• CAS No.: 71974-08-8
• Molecular Formula: C₁₆H₁₈O₂
• Molecular Weight: 242.318
• DSSTox Substance ID: DTXSID60400764
• Nikkaji Number: J1.014.015C
• Wikidata: Q82203783
• Mol file: 71974-08-8.mol

Synonyms:naphthalen-2-yl hexanoate;71974-08-8;2-naphthyl hexanoate;Hexanoic acid,2-naphthalenyl ester;BETA-NAPHTHYL CAPROATE;Hexanoic acid, 2-naphthalenyl ester;Caproic acid 2-naphthyl ester;SCHEMBL5036303;DTXSID60400764;AG-G-82761;AO-548/40890950

Chemical Property of Naphthalen-2-yl hexanoate

Chemical Property:

• Vapor Pressure: 1.46E-05mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 366.4°C at 760 mmHg
• Flash Point: 123.9°C
• PSA: 26.30000
• Density: 1.066g/cm³
• LogP: 4.32550
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 242.130679813
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OC1=CC2=CC=CC=C2C=C1

Technology Process of Naphthalen-2-yl hexanoate

There total 2 articles about Naphthalen-2-yl hexanoate 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: 89.0%

vinyl caproate (3050-69-9) + β-naphthol (135-19-3) → naphthalen-2-yl hexanoate (71974-08-8)

Guidance literature:

With potassium carbonate; In 1,4-dioxane; at 130 ℃; for 10h; Schlenk technique;

Reference yield:

Hexanoyl chloride (142-61-0) + β-naphthol (135-19-3) → naphthalen-2-yl hexanoate (71974-08-8)

Guidance literature:

DOI:10.1021/ja01194a059

Reference yield:

naphthalen-2-yl hexanoate (71974-08-8) → 2-butyl-3-phenyl-benzo[f]chromen-1-one

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃; carbon disulfide / Erhitzen des vom Schwefelkohlenstoff befreiten Reaktionsgemisches auf 120grad

2: sodium benzoate / 190 °C

With carbon disulfide; sodium benzoate; aluminium trichloride;

upstream raw materials:

Hexanoyl chloride

β-naphthol

vinyl caproate

Refernces

• 1、 Zhou, Xiao-Yu,Chen, Xia. "Na 2 CO 3-Catalyzed O-Acylation of Phenols for the Synthesis of Aryl Carboxylates with Use of Alkenyl Carboxylates". supporting information. p. 2321 - 2325. Retrieved 2018/10/20.