Betol

Base Information

• Chemical Name: Betol
• CAS No.: 613-78-5
• Molecular Formula: C17H12O3
• Molecular Weight: 264.28
• European Community (EC) Number: 210-355-5
• NSC Number: 5538
• UNII: 9X065171H7
• DSSTox Substance ID: DTXSID40871791
• Nikkaji Number: J7.022J
• Wikidata: Q27273323
• Mol file: 613-78-5.mol

Synonyms:Betol;2-Naphthyl salicylate;naphthalen-2-yl 2-hydroxybenzoate;613-78-5;Naphthosalol;Salinaphthol;Naphthalol;Berol;.beta.-Naphthol salicylate;Salicylic acid, 2-naphthyl ester;Benzoic acid, 2-hydroxy-, 2-naphthalenyl ester;.beta.-Naphthyl salicylate;NSC 5538;NSC-5538;9X065171H7;2-naphthyl 2-hydroxybenzoate;starbld0015757;beta-Naphthyl salicylate;Salicylsaure-ss-naphthylester;Oprea1_275977;SCHEMBL853972;DTXSID40871791;NSC5538;HMS1607I02;UNII-9X065171H7;Benzoic acid, 2-naphthalenyl ester;2-NAPHTHYL SALICYLATE [MI];EINECS 210-355-5;BBL000006;MFCD00227474;STK368285;AKOS001483246;CCG-103166;VS-00404;2-Hydroxybenzoic acid 2-naphthalenyl ester;AI3-00890;2-Hydroxybenzoic acid, 2-Naphthalenyl ester;CS-0322818;EU-0066730;SR-01000389328;SR-01000389328-1;Q27273323

Chemical Property of Betol

Chemical Property:

• Vapor Pressure: 9.27E-08mmHg at 25°C
• Boiling Point: 423.2°Cat760mmHg
• Flash Point: 179.8°C
• Density: 1.286g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 264.078644241
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC=CC=C3O

Technology Process of Betol

There total 14 articles about Betol 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: 82.0%

2-(trifluoromethyl)phenol (444-30-4) + β-naphthol (135-19-3) → Betol (613-78-5)

Guidance literature:

With water; potassium carbonate; In toluene; at 120 ℃; for 12h;

DOI:10.1016/j.tetlet.2021.153592

Reference yield: 80.0%

2-(naphthalen-2-yloxy)-benzoic acid (66691-27-8) → Betol (613-78-5)

Guidance literature:

With sodium carbonate; 9-(2-mesityl)-10-methylacridinium perchlorate; In water; 1,2-dichloro-ethane; at 20 ℃; for 16h; Irradiation;

DOI:10.1039/c7ob02579c

Reference yield: 69.0%

dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + 2-Iodophenol (533-58-4) + β-naphthol (135-19-3) → Betol (613-78-5)

Guidance literature:

With triethylamine; In toluene; at 100 ℃; for 15h; Catalytic behavior;

DOI:10.1016/j.mcat.2019.110672

upstream raw materials:

phenyl Salicylate

β-naphthol

salicylic acid

phosphorus pentachloride

Downstream raw materials:

2-acetoxy-benzoic acid-[2]naphthyl ester

2-hydroxy-5-nitro-benzoic acid-[2]naphthyl ester

3,5-dibromo-2-hydroxy-benzoic acid-[2]naphthyl ester

Refernces

• 1、 Gaikwad, Vinayak V.,Mane, Pravin A.,Dey, Sandip,Patel, Divya,Bhanage, Bhalchandra M.. "Supramolecular Pd(II) complex of DPPF and dithiolate: An efficient catalyst for amino and phenoxycarbonylation using Co2(CO)8 as sustainable C1 source". . . Retrieved 2019/11/28.
• 2、 Hossian, Asik,Jana, Ranjan. "Carboxyl radical-assisted 1,5-aryl migration through Smiles rearrangement". supporting information. p. 9768 - 9779. Retrieved 2016/10/31.