Methyl 2-(naphthalen-1-yl)benzoate

Base Information

• Chemical Name: Methyl 2-(naphthalen-1-yl)benzoate
• CAS No.: 93655-02-8
• Molecular Formula: C18H14O2
• Molecular Weight: 262.308
• NSC Number: 97685
• DSSTox Substance ID: DTXSID50294710
• Nikkaji Number: J3.664.403F
• Wikidata: Q82034135
• Mol file: 93655-02-8.mol

Synonyms:methyl 2-(naphthalen-1-yl)benzoate;93655-02-8;methyl 2-naphthalen-1-ylbenzoate;NSC97685;SCHEMBL10010690;DTXSID50294710;NSC-97685

Chemical Property of Methyl 2-(naphthalen-1-yl)benzoate

Chemical Property:

• Vapor Pressure: 4.24E-07mmHg at 25°C
• Boiling Point: 415.1°Cat760mmHg
• Flash Point: 188.7°C
• Density: 1.156g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 262.099379685
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1C2=CC=CC3=CC=CC=C32

Technology Process of Methyl 2-(naphthalen-1-yl)benzoate

There total 9 articles about Methyl 2-(naphthalen-1-yl)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: 92.0%

2-bromobenzoic acid methyl ester (610-94-6) + 1-naphthylboric acid → methyl 2-(naphthalen-1-yl)benzoate (93655-02-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water; for 12h; Inert atmosphere; Reflux;

Reference yield: 87.0%

2-bromobenzoic acid methyl ester (610-94-6) + 1-Naphthylboronic acid (13922-41-3) → methyl 2-(naphthalen-1-yl)benzoate (93655-02-8)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; toluene; at 100 ℃; for 5h;

Reference yield: 82.0%

o-iodo-methyl-benzoic acid (610-97-9) + 1-Naphthylboronic acid (13922-41-3) → methyl 2-(naphthalen-1-yl)benzoate (93655-02-8)

Guidance literature:

With potassium phosphate tribasic trihydrate; palladium dichloride; In toluene; at 100 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.7b00579

upstream raw materials:

naphthalene

2-carbomethoxyaniline

methyl chlorobenzoate

1-naphthyldiphenylmethanol

Downstream raw materials:

2-(2-tert-butoxycarbonyl-1-[1]naphthyl-vinyl)-benzoic acid

2-(naphthalene-1-yl)benzoic acid

2-[2-(1-naphthyl)phenyl]-2-propanol

3-(2-carboxy-phenyl)-3-[1]naphthyl-acrylic acid