4-Octyloxybenzoyl chloride

Base Information

• Chemical Name: 4-Octyloxybenzoyl chloride
• CAS No.: 40782-53-4
• Molecular Formula: C15H21ClO2
• Molecular Weight: 268.784
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90375072
• Nikkaji Number: J32.750F
• Wikidata: Q82163614
• Mol file: 40782-53-4.mol

Synonyms:4-Octyloxybenzoyl chloride;40782-53-4;4-octoxybenzoyl Chloride;4-(octyloxy)benzoyl chloride;p-Octyloxybenzoyl chloride;4-Octyloxy-benzoyl chloride;4-n-octyloxybenzoic chloride;4-n-Octyloxybenzoyl chloride;p-octyloxybenzoic acid chloride;4-octyloxybenzoic acid chloride;SCHEMBL4209056;4-n-octyloxybenzoic acid chloride;DTXSID90375072;YXBOJGHBKKAPOG-UHFFFAOYSA-N;MFCD00799348;FT-0639666;A825283

Chemical Property of 4-Octyloxybenzoyl chloride

Chemical Property:

• Vapor Pressure: 1.21E-05mmHg at 25°C
• Refractive Index: 1.503
• Boiling Point: 369.1 °C at 760 mmHg
• Flash Point: 136 °C
• PSA: 26.30000
• Density: 1.052 g/cm³
• LogP: 4.80490
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 268.1230076
• Heavy Atom Count: 18
• Complexity: 223

Purity/Quality:

98%min ^*data from raw suppliers

4-OCTYLOXYBENZOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC=C(C=C1)C(=O)Cl

Technology Process of 4-Octyloxybenzoyl chloride

There total 26 articles about 4-Octyloxybenzoyl chloride 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: 81.0%

p-octyloxybenzoic acid (2493-84-7) → 4-octyloxybenzoic acid chloride (40782-53-4)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; Heating;

Reference yield:

1-bromo-octane (111-83-1) → 4-octyloxybenzoic acid chloride (40782-53-4)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol / Heating

2: SOCl₂

With potassium hydroxide; thionyl chloride; In ethanol;

DOI:10.1080/10587250108025027

Reference yield:

4-hydroxy-benzoic acid (99-96-7) → 4-octyloxybenzoic acid chloride (40782-53-4)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol / Heating

2: SOCl₂

With potassium hydroxide; thionyl chloride; In ethanol;

DOI:10.1080/10587250108025027

upstream raw materials:

p-octyloxybenzoic acid

1-bromo-octane

4-hydroxy-benzoic acid

1-Iodooctane

Downstream raw materials:

4-pentylphenylester of 4-octyloxybenzoic acid

3,4-Bis-(4-octyloxy-benzoyloxy)-benzoic acid

4-[(benzyloxy)carbonyl]phenyl 4-octyloxybenzoate

4-Octyloxy-benzoic acid 2-(4-octyloxy-phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl ester

Refernces

• 1、 Chapagai, Danda,Ramamoorthy, Gurusankar,Varghese, Jessy,Nurmemmedov, Elmar,McInnes, Campbell,Wyatt, Michael D.. "Nonpeptidic, Polo-Box Domain-Targeted Inhibitors of PLK1 Block Kinase Activity, Induce Its Degradation and Target-Resistant Cells". . p. 9916 - 9925. Retrieved 2021.
• 2、 Matsumaru, Takanori,Ikeno, Risa,Shuchi, Yusuke,Iwamatsu, Toshiki,Tadokoro, Takashi,Yamasaki, Sho,Fujimoto, Yukari,Furukawa, Atsushi,Maenaka, Katsumi. "Synthesis of glycerolipids containing simple linear acyl chains or aromatic rings and evaluation of their Mincle signaling activity". supporting information. p. 711 - 714. Retrieved 2019/02/06.