1-Naphthyl benzoate

Base Information

• Chemical Name: 1-Naphthyl benzoate
• CAS No.: 607-55-6
• Molecular Formula: C17H12 O2
• Molecular Weight: 248.281
• Hs Code.: 2916310090
• European Community (EC) Number: 210-136-4
• NSC Number: 4528
• UNII: Q6K7F22XRU
• DSSTox Substance ID: DTXSID20209513
• Nikkaji Number: J95.524H
• Wikidata: Q83083822
• ChEMBL ID: CHEMBL1730025
• Mol file: 607-55-6.mol

Synonyms:1-Naphthyl benzoate;607-55-6;naphthalen-1-yl benzoate;1-Naphthalenol, benzoate;1-Naphthol, benzoate;AI3-19697;MLS002637755;benzoic acid naphthalen-1-yl ester;NSC-4528;EINECS 210-136-4;Naphthylbenzoat;1-Naphthyl bezoate;ChemDiv3_000564;Q6K7F22XRU;SCHEMBL2477732;Benzoic acid, 1-naphthyl ester;CHEMBL1730025;DTXSID20209513;NSC4528;HMS1474J14;NSC 4528;CCG-48926;AKOS001484838;NCGC00172736-01;SMR001547274;SR-01000401934;SR-01000401934-1;SR-01000401934-2;BRD-K26027170-001-01-0

Chemical Property of 1-Naphthyl benzoate

Chemical Property:

• Vapor Pressure: 4.77E-07mmHg at 25°C
• Melting Point: 55.85°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 413.5°C at 760 mmHg
• Flash Point: 174.6°C
• PSA: 26.30000
• Density: 1.199g/cm³
• LogP: 4.05900
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 248.083729621
• Heavy Atom Count: 19
• Complexity: 306

Purity/Quality:

98%min ^*data from raw suppliers

1-NAPHTHYL BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC3=CC=CC=C32

Technology Process of 1-Naphthyl benzoate

There total 27 articles about 1-Naphthyl benzoate 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: 97.0%

α-naphthol (90-15-3) + benzoyl chloride (98-88-4) → α-naphthyl benzoate (607-55-6)

Guidance literature:

zirconium(IV) oxychloride; In dichloromethane; at 20 ℃; for 60h;

DOI:10.1016/j.tetlet.2004.10.164

Reference yield: 93.0%

α-naphthol (90-15-3) + 4(S)-(methoxycarbonyl)-N-benzoyl-1,3-oxazolidine-2-thione (81912-53-0) → α-naphthyl benzoate (607-55-6)

Guidance literature:

With potassium phosphate; In tetrahydrofuran; at 20 ℃; for 8h;

DOI:10.1021/acs.orglett.1c01622

Reference yield: 92.0%

α-naphthol (90-15-3) + benzoic acid anhydride (93-97-0) → α-naphthyl benzoate (607-55-6)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In acetonitrile; for 0.75h; Heating;

DOI:10.1016/S0040-4020(01)00521-X

upstream raw materials:

α-naphthol

benzoyl chloride

1-naphthyl acetate

phenol

Downstream raw materials:

4-benzoyl-1-naphthol

benzoic acid-(4-chloro-[1]naphthyl ester)

α-naphthol

2-benzoyl-1-naphthol

Refernces

• 1、 Huang, Changyu,Li, Jinpeng,Wang, Jiaquan,Zheng, Qingshu,Li, Zhenhua,Tu, Tao. "Hydrogen-bond-assisted transition-metal-free catalytic transformation of amides to esters". . p. 66 - 71. Retrieved 2020/11/18.
• 2、 Nicewicz, David A.,Pistritto, Vincent A.,Schutzbach-Horton, Megan E.. "Nucleophilic aromatic substitution of unactivated fluoroarenes enabled by organic photoredox catalysis". supporting information. p. 17187 - 17194. Retrieved 2020/11/02.