4-Hydroxy-2-methylnaphthyl benzoate

Base Information

• Chemical Name: 4-Hydroxy-2-methylnaphthyl benzoate
• CAS No.: 2211-28-1
• Molecular Formula: C18H14 O3
• Molecular Weight: 278.307
• Hs Code.: 2916310090
• European Community (EC) Number: 218-647-4
• DSSTox Substance ID: DTXSID50176623
• Nikkaji Number: J29.236B
• Wikidata: Q83046932
• Mol file: 2211-28-1.mol

Synonyms:4-Hydroxy-2-methylnaphthyl benzoate;SCHEMBL3989240;DTXSID50176623;EINECS 218-647-4;AKOS024342454;4-Hydroxy-2-methyl-1-naphthyl benzoate #;1,4-Naphthalenediol, 2-methyl-, 1-benzoate;EC 218-647-4;Benzoic acid 4-hydroxy-2-methyl-1-naphthyl ester;Benzoic acid, 4-hydroxy-2-methylnaphthalen-1-yl ester

Chemical Property of 4-Hydroxy-2-methylnaphthyl benzoate

Chemical Property:

• Vapor Pressure: 1.84E-11mmHg at 25°C
• Boiling Point: 520.7°Cat760mmHg
• Flash Point: 224.8°C
• PSA: 46.53000
• Density: 1.255g/cm³
• LogP: 4.07300
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 278.094294304
• Heavy Atom Count: 21
• Complexity: 362

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2C(=C1)O)OC(=O)C3=CC=CC=C3

Technology Process of 4-Hydroxy-2-methylnaphthyl benzoate

There total 1 articles about 4-Hydroxy-2-methylnaphthyl 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: 37.0%

2-methyl-1,4-naphthalenediol dibenzoate (2211-31-6) → Benzoesaeure-<4-hydroxy-2-methyl-1-naphthyl>ester (2211-28-1)

Guidance literature:

With sodium hydroxide; In ethanol; for 0.5h; Ambient temperature;

DOI:10.1021/ja00074a006

Reference yield:

Benzoesaeure-<4-hydroxy-2-methyl-1-naphthyl>ester (2211-28-1) → phytomenadione (84-80-0)

Guidance literature:

Multi-step reaction with 2 steps

2: KOH / methanol; hexane; H₂O / 2 h / Ambient temperature

With potassium hydroxide; In methanol; hexane; water;

DOI:10.1002/hlca.19820650307

Reference yield:

Geranylgeraniol (24034-73-9) + Benzoesaeure-<4-hydroxy-2-methyl-1-naphthyl>ester (2211-28-1) → C38H46O3

Guidance literature:

With [1,3]-dioxolan-2-one; aluminium(III) triflate; In n-heptane; at 100 ℃; for 2.5h; Reagent/catalyst; Inert atmosphere;

upstream raw materials:

2-methyl-1,4-naphthalenediol dibenzoate

Downstream raw materials:

Benzoesaeure-<4-hydroxy-2-methyl-3-((2'E,7'R,11'R)-phytyl)-1-naphthyl>ester

phytomenadione

Refernces