Propyl naphthalene-1-carboxylate

Base Information

• Chemical Name: Propyl naphthalene-1-carboxylate
• CAS No.: 3007-96-3
• Molecular Formula: C14H14O2
• Molecular Weight: 214.264
• DSSTox Substance ID: DTXSID20532853
• Nikkaji Number: J190.815D
• Wikidata: Q82405778
• Mol file: 3007-96-3.mol

Synonyms:Propyl 1-naphthoate;3007-96-3;Propyl naphthalene-1-carboxylate;1-Naphthoic acid propyl ester;propyl naphthalenecarboxylate;SCHEMBL2117339;DTXSID20532853;DVFZYEJUWGWKLC-UHFFFAOYSA-N;AKOS005766685;naphthalene-1-carboxylic acid propyl ester

Chemical Property of Propyl naphthalene-1-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 214.099379685
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C1=CC=CC2=CC=CC=C21

Technology Process of Propyl naphthalene-1-carboxylate

There total 1 articles about Propyl naphthalene-1-carboxylate 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:

2-(2-(naphthalen-1-yl)ethynyl)benzaldehyde (1180487-37-9) → 1,3-diiodo-2-phenylnaphthalene (1370697-43-0) + propyl naphthalene-1-carboxylate (3007-96-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ethylmagnesium bromide / tetrahydrofuran / 0.5 h / 40 °C

1.2: 23 - 25 °C

2.1: Iodine monochloride / 23 - 25 °C

With ethylmagnesium bromide; Iodine monochloride; In tetrahydrofuran;

DOI:10.1021/ol300457c

Reference yield:

propyl naphthalene-1-carboxylate (3007-96-3) → 1-Cyanonaphthalene (86-53-3)

Guidance literature:

propyl naphthalene-1-carboxylate; With sodium diisobutyl-tert-butoxyaluminium hydride; In tetrahydrofuran; at -40 - 0 ℃; for 4h; Inert atmosphere;

With ammonium hydroxide; iodine; In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejoc.201300629

upstream raw materials:

2-(2-(naphthalen-1-yl)ethynyl)benzaldehyde

Downstream raw materials:

1-Cyanonaphthalene

Refernces