5-Methyl-2-furylmethyl benzoate

Base Information

• Chemical Name: 5-Methyl-2-furylmethyl benzoate
• CAS No.: 18801-77-9
• Molecular Formula: C13H12 O3
• Molecular Weight: 216.236
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID90340543
• Nikkaji Number: J662.914H
• Wikidata: Q82110243
• Mol file: 18801-77-9.mol

Synonyms:5-Methyl-2-furylmethyl benzoate;(5-methylfuran-2-yl)methyl benzoate;18801-77-9;5-METHYL-2-FURYLMETHYLBENZOATE);DTXSID90340543;AKOS024325900;Benzoic acid 5-methyl-2-furylmethyl ester

Chemical Property of 5-Methyl-2-furylmethyl benzoate

Chemical Property:

• Vapor Pressure: 0.00054mmHg at 25°C
• Refractive Index: 1.55
• Boiling Point: 312.1°C at 760 mmHg
• Flash Point: 142.6°C
• PSA: 39.44000
• Density: 1.155g/cm³
• LogP: 2.94500
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 216.078644241
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(O1)COC(=O)C2=CC=CC=C2

Technology Process of 5-Methyl-2-furylmethyl benzoate

There total 1 articles about 5-Methyl-2-furylmethyl 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:

→ (5-methyl-2-furyl)methyl benzoate (18801-77-9)

Guidance literature:

DOI:10.1021/jo00926a037 DOI:10.1039/C29710001433

Reference yield: 69.0%

(5-methyl-2-furyl)methyl benzoate (18801-77-9) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → (4-methyl-7-oxa-1-benzonorbornadienyl)methyl benzoate (200957-43-3)

Guidance literature:

With isopentyl nitrite; In 1,2-dimethoxyethane; Heating;

DOI:10.1016/S0040-4020(97)10134-X

Reference yield:

(5-methyl-2-furyl)methyl benzoate (18801-77-9) → 1,4-dimethylnaphthalene (571-58-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 69 percent / isoamyl nitrite / 1,2-dimethoxy-ethane / Heating

2: H₂ / Pd/C / ethyl acetate / Ambient temperature

3: 12 percent / 650 °C / 0.01 Torr

With hydrogen; isopentyl nitrite; palladium on activated charcoal; In 1,2-dimethoxyethane; ethyl acetate;

DOI:10.1016/S0040-4020(97)10134-X

Downstream raw materials:

(4-methyl-7-oxa-1-benzonorbornadienyl)methyl benzoate

1,4-dimethylnaphthalene

1-Methylnaphthalene

(4-methyl-7-oxa-1-benzonorbornenyl)methyl benzoate