2-Acetyl-1-naphthyl benzoate

Base Information

• Chemical Name: 2-Acetyl-1-naphthyl benzoate
• CAS No.: 63450-44-2
• Molecular Formula: C19H14O3
• Molecular Weight: 290.318
• Hs Code.: 2916310090
• European Community (EC) Number: 264-173-6
• DSSTox Substance ID: DTXSID6069828
• Nikkaji Number: J349.191I
• Wikidata: Q81996888
• Mol file: 63450-44-2.mol

Synonyms:2-Acetyl-1-naphthyl benzoate;63450-44-2;Ethanone, 1-[1-(benzoyloxy)-2-naphthalenyl]-;EINECS 264-173-6;Ethanone, 1-(1-(benzoyloxy)-2-naphthalenyl)-;DTXSID6069828;Benzoic acid 2-acetyl-1-naphthyl ester

Chemical Property of 2-Acetyl-1-naphthyl benzoate

Chemical Property:

• Vapor Pressure: 1.82E-10mmHg at 25°C
• Boiling Point: 508.7°Cat760mmHg
• Flash Point: 227°C
• PSA: 43.37000
• Density: 1.217g/cm³
• LogP: 4.26160
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 290.094294304
• Heavy Atom Count: 22
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C2=CC=CC=C2C=C1)OC(=O)C3=CC=CC=C3

Technology Process of 2-Acetyl-1-naphthyl benzoate

There total 7 articles about 2-Acetyl-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: 80.0%

1-hydroxy-2-acetonaphthone (711-79-5) + benzoyl chloride (98-88-4) → 2-acetyl-1-benzoyloxynaphthalene (63450-44-2)

Guidance literature:

With pyridine; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2014.07.041

Reference yield: 46.0%

1-hydroxy-2-acetonaphthone (711-79-5) + benzyl alcohol (100-51-6,185532-71-2) → 2-acetyl-1-benzoyloxynaphthalene (63450-44-2)

Guidance literature:

With tert.-butylhydroperoxide; copper diacetate; In water; dimethyl sulfoxide; at 80 ℃; for 20h; Sealed tube;

DOI:10.1016/j.tet.2013.08.079

Reference yield:

1-naphthyl acetate (830-81-9) → 2-acetyl-1-benzoyloxynaphthalene (63450-44-2)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / CS₂

2: pyridine

With pyridine; aluminium trichloride; In carbon disulfide;

upstream raw materials:

1-hydroxy-2-acetonaphthone

benzoyl chloride

1-naphthyl acetate

benzoic acid

Downstream raw materials:

C₁₉H₁₄O₃

1-(1-hydroxynaphthalen-2-yl)-3-phenylpropane-1,3-dione

α-naphtoflavone

Refernces

• 1、 Singh, Harbinder,Singh, Jatinder Vir,Gupta, Manish K.,Singh, Palwinder,Sharma, Sahil,Nepali, Kunal,Bedi, Preet Mohinder S.. "Benzoflavones as cholesterol esterase inhibitors: Synthesis, biological evaluation and docking studies". supporting information. p. 850 - 854. Retrieved 2017/02/12.
• 2、 Sharma, Satyasheel,Park, Jihye,Kim, Mirim,Kwak, Jong Hwan,Jung, Young Hoon,Kim, In Su. "Cu(II)-catalyzed oxidative esterification of 2-carbonyl substituted phenols from the alcohol oxidation level". . p. 9391 - 9397. Retrieved 2013/10/08.