2-Naphthyl propionate

Base Information

• Chemical Name: 2-Naphthyl propionate
• CAS No.: 13080-43-8
• Molecular Formula: C13H12O2
• Molecular Weight: 200.237
• Hs Code.: 2915509000
• European Community (EC) Number: 235-984-2
• NSC Number: 406861
• UNII: B2UWH942LK
• DSSTox Substance ID: DTXSID10156749
• Nikkaji Number: J307.511G
• Wikidata: Q83024873
• Mol file: 13080-43-8.mol

Synonyms:2-Naphthyl propionate;13080-43-8;naphthalen-2-yl propanoate;2-Naphthalenol, propanoate;2-Naphthalenol, 2-propanoate;B2UWH942LK;BETA-NAPHTHYL PROPIONATE;EINECS 235-984-2;NSC-406861;AI3-08388;Propionic acid 2-naphthyl ester;NSC406861;3-naphthyl propionate;UNII-B2UWH942LK;2-NAPHTHOL, PROPIONATE;NAPHTH-2-YL PROPANOATE;SCHEMBL4441141;Propanoic acid 2-naphthyl ester;DTXSID10156749;.BETA.-NAPHTHYL PROPIONATE;AKOS024354735;NSC 406861;FT-0613131;FT-0613135;N-2490

Chemical Property of 2-Naphthyl propionate

Chemical Property:

• Vapor Pressure: 0.000253mmHg at 25°C
• Melting Point: 48-51 °C
• Refractive Index: 1.591
• Boiling Point: 324 °C at 760 mmHg
• Flash Point: 113.8 °C
• PSA: 26.30000
• Density: 1.126 g/cm³
• LogP: 3.15520
• Storage Temp.: −20°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.083729621
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

PropionicAcid2-NaphthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Naphthyl propionate

There total 13 articles about 2-Naphthyl propionate 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%

propionic acid anhydride (123-62-6) + β-naphthol (135-19-3) → 2-naphthyl propionate (13080-43-8)

Guidance literature:

With magnesium bis(trifluoromethane solfonyl)imide; at 20 ℃; for 1h;

DOI:10.1021/jo0605142

Reference yield: 100.0%

propionyl chloride (79-03-8) + β-naphthol (135-19-3) → 2-naphthyl propionate (13080-43-8)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/ol802029e

Reference yield: 89.0%

2-naphthyltrimethylsilane (18052-85-2) + propionic acid (802294-64-0,79-09-4) → 2-naphthyl propionate (13080-43-8)

Guidance literature:

With palladium diacetate; bis-[(trifluoroacetoxy)iodo]benzene; In acetic acid; at 80 ℃; for 17h;

DOI:10.1021/acs.orglett.5b02336

upstream raw materials:

pyridine

propionic acid anhydride

β-naphthol

propionyl chloride

Downstream raw materials:

2-phenylnaphthalene

β-naphthol

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.
• 2、 Gondo, Keisuke,Oyamada, Juzo,Kitamura, Tsugio. "Palladium-Catalyzed Desilylative Acyloxylation of Silicon-Carbon Bonds on (Trimethylsilyl)arenes: Synthesis of Phenol Derivatives from Trimethylsilylarenes". supporting information. p. 4778 - 4781. Retrieved 2015/10/12.