1-Naphthalenecarbonyl chloride, 4-ethyl-

Base Information

• Chemical Name: 1-Naphthalenecarbonyl chloride, 4-ethyl-
• CAS No.: 824430-39-9
• Molecular Formula: C13H11ClO
• Molecular Weight: 218.683
• DSSTox Substance ID: DTXSID10709193
• Wikidata: Q82643984
• Mol file: 824430-39-9.mol

Synonyms:1-Naphthalenecarbonyl chloride, 4-ethyl-;824430-39-9;4-Ethylnaphthalene-1-carbonyl chloride;4-ethyl-1-naphthoylchloride;4-ethyl-1-naphthoyl chloride;SCHEMBL5235056;DTXSID10709193;NQGJOARSKPSTSF-UHFFFAOYSA-N;AMY19242;4-ethyl-1-naphthalenecarbonyl chloride

Chemical Property of 1-Naphthalenecarbonyl chloride, 4-ethyl-

Chemical Property:

• PSA: 17.07000
• LogP: 3.78120
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 218.0498427
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C2=CC=CC=C12)C(=O)Cl

Technology Process of 1-Naphthalenecarbonyl chloride, 4-ethyl-

There total 4 articles about 1-Naphthalenecarbonyl chloride, 4-ethyl- 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:

4-ethyl-1-naphthalenecarboxylic acid (91902-58-8) → 4-ethyl-1-naphthoyl chloride (824430-39-9)

Guidance literature:

With thionyl chloride; for 0.25h; Heating;

DOI:10.1016/j.bmc.2004.09.050

Reference yield:

N,N-diphenyl-4-ethyl-1-naphthalenecarboxamide (824430-38-8) → 4-ethyl-1-naphthoyl chloride (824430-39-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / KOH / bis-(2-hydroxy-ethyl) ether / 8 h / Heating

2: thionyl chloride / 0.25 h / Heating

With potassium hydroxide; thionyl chloride; In diethylene glycol;

DOI:10.1016/j.bmc.2004.09.050

Reference yield:

1-ethylnapthelene (1127-76-0) → 4-ethyl-1-naphthoyl chloride (824430-39-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / AlCl₃ / 1,2-dichloro-ethane / 6 h / Heating

2: 90 percent / KOH / bis-(2-hydroxy-ethyl) ether / 8 h / Heating

3: thionyl chloride / 0.25 h / Heating

With potassium hydroxide; aluminium trichloride; thionyl chloride; In 1,2-dichloro-ethane; diethylene glycol; 1: Friedel-Crafts reaction;

DOI:10.1016/j.bmc.2004.09.050

upstream raw materials:

4-ethyl-1-naphthalenecarboxylic acid

N,N-diphenyl-4-ethyl-1-naphthalenecarboxamide

1-ethylnapthelene

Downstream raw materials:

JWH-213

JWH-210