2-Naphthyl benzoate

Base Information

• Chemical Name: 2-Naphthyl benzoate
• CAS No.: 93-44-7
• Molecular Formula: C17H12O2
• Molecular Weight: 248.281
• Hs Code.: 29163100
• European Community (EC) Number: 202-247-1
• NSC Number: 5537
• UNII: 1BKX98E2B1
• DSSTox Substance ID: DTXSID50861688
• Nikkaji Number: J3.938A
• Wikidata: Q27252201
• ChEMBL ID: CHEMBL1407906
• Mol file: 93-44-7.mol

Synonyms:2-Naphthyl benzoate;93-44-7;naphthalen-2-yl benzoate;Benzonaphthol;2-NAPHTHOL BENZOATE;Betabenzon;2-Naphthalenol, benzoate;2-Benzoyloxynaphthalene;Benzoic acid 2-naphthyl ester;beta-naphthol benzoate;beta-Naphthyl benzoate;2-Naphthalenol, 2-benzoate;2-Naphthol, benzoate;.beta.-Naphthyl benzoate;Benzoic acid, 2-naphthyl ester;NSC 5537;2-Naphthalenol 2-benzoate;UNII-1BKX98E2B1;Benzoesaeure-beta-naphthylester;1BKX98E2B1;NSC-5537;EINECS 202-247-1;MFCD00014320;AI3-01407;lintrin;2-naphthylbenzoat;betanaphthol benzoate;HAERTOLAN;.beta.-Naphthol benzoate;CBDivE_013834;MLS000532696;BENZONAPHTHOL [WHO-DD];IFLab1_003670;SCHEMBL1639878;CHEMBL1407906;DTXSID50861688;NSC5537;2-NAPHTHYL BENZOATE [MI];Benzoic acid, beta-naphthyl ester;HMS1422G18;HMS2480P04;benzoic acid naphthalen-2-yl ester;STK084157;AKOS000491593;CCG-348829;IDI1_009777;NCGC00245709-01;AS-14487;SMR000140134;SY036774;B1108;CS-0156547;EU-0066971;FT-0622717;F11281;SR-01000390725;SR-01000390725-1;W-100243;Q27252201;F0808-1030

Chemical Property of 2-Naphthyl benzoate

Chemical Property:

• Appearance/Colour: light brown crystalline powder
• Vapor Pressure: 4.77E-07mmHg at 25°C
• Melting Point: 105-109 °C
• Refractive Index: 1.652
• Boiling Point: 413.5 °C at 760 mmHg
• Flash Point: 174.6 °C
• PSA: 26.30000
• Density: 1.199 g/cm³
• LogP: 4.05900
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: insoluble
• 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:

99% min ^*data from raw suppliers

2-Naphthyl Benzoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2
• Uses: 2-Naphthyl benzoate is a useful biochemical for proteomics research. It is also used as a hardening agent for paraffin.

Technology Process of 2-Naphthyl benzoate

There total 58 articles about 2-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: 100.0%

benzoic acid (65-85-0,8013-63-6) + β-naphthol (135-19-3) → 2-naphthyl benzoate (93-44-7)

Guidance literature:

With TiO(acac)2; In xylene; for 36h; Heating;

DOI:10.1021/jo051337s

Reference yield: 98.0%

benzoic acid anhydride (93-97-0) + β-naphthol (135-19-3) → 2-naphthyl benzoate (93-44-7)

Guidance literature:

benzoic acid anhydride; With molybdenium(VI) dioxodichloride; In dichloromethane; at 20 ℃; for 0.5h;

β-naphthol; In dichloromethane; at 20 ℃; for 70h;

DOI:10.1021/jo048363v

Reference yield: 98.0%

benzoyl chloride (98-88-4) + β-naphthol (135-19-3) → 2-naphthyl benzoate (93-44-7)

Guidance literature:

zirconium(IV) oxychloride; In dichloromethane; at 20 ℃; for 21h;

DOI:10.1016/j.tetlet.2004.10.164

upstream raw materials:

benzoyl chloride

sodium 2-naphtholate

β-naphthol

benzoic acid

Downstream raw materials:

naphthalen-2-yl 4-methoxybenzoate

benzamide

benzoic acid phenyl ester

4-chlorophenyl benzoate

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、 Dong, Jianyu,Chen, Xiuling,Ji, Fangyan,Liu, Lixin,Su, Lebin,Mo, Min,Tang, Jian-Sheng,Zhou, Yongbo. "Copper-mediated simple and direct aerobic oxidative esterification of arylacetonitriles with alcohols/phenols". . . Retrieved 2020/10/20.