3-ethoxybenzoyl Chloride

Base Information

• Chemical Name: 3-ethoxybenzoyl Chloride
• CAS No.: 61956-65-8
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 2918990090
• European Community (EC) Number: 642-569-3
• DSSTox Substance ID: DTXSID00377724
• Nikkaji Number: J410.674A
• Wikidata: Q82167048
• Mol file: 61956-65-8.mol

Synonyms:3-ethoxybenzoyl Chloride;61956-65-8;3-Ethoxybenzoylchloride;Benzoyl chloride,3-ethoxy-;SCHEMBL364241;DTXSID00377724;GDBMWSHYPYKDED-UHFFFAOYSA-N;BBL014848;STL197257;AKOS000346331;AS-58322;FT-0640797

Chemical Property of 3-ethoxybenzoyl Chloride

Chemical Property:

• Boiling Point: 261 °C at 760 mmHg
• Flash Point: 97.2 °C
• PSA: 26.30000
• Density: 1.18 g/cm³
• LogP: 2.46430
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

3-Ethoxybenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC(=C1)C(=O)Cl

Technology Process of 3-ethoxybenzoyl Chloride

There total 4 articles about 3-ethoxybenzoyl 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:

3-ethoxybenzoic acid (621-51-2) → 3-ethoxy-benzoyl chloride (61956-65-8)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

oxalyl dichloride (79-37-8) + 3-ethoxybenzoic acid (621-51-2) → 3-ethoxy-benzoyl chloride (61956-65-8)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1016/j.tetlet.2011.04.001

Reference yield:

3-Carboxyphenol (99-06-9) → 3-ethoxy-benzoyl chloride (61956-65-8)

Guidance literature:

Multi-step reaction with 2 steps

1: alkali

2: phosphorus pentachloride

With phosphorus pentachloride;

upstream raw materials:

3-ethoxybenzoic acid

3-Carboxyphenol

oxalyl dichloride

Downstream raw materials:

2-(3-ethoxy-phenyl)-3-phenyl-5-thioxo-4,5-dihydro-[1,3,4]thiadiazolium betaine

C₅₁H₇₈O₃₇

(2S,4R)-N-((S)-1-(4-chlorophenyl)ethyl)-1-(3-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-([1,1'-biphenyl]-4-ylmethyl)-1-(3-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxamide

Refernces

• 1、 Dressel, Christian,Liu, Feng,Prehm, Marko,Zeng, Xiangbing,Ungar, Goran,Tschierske, Carsten. "Dynamic mirror-symmetry breaking in bicontinuous cubic phases". supporting information. p. 13115 - 13120. Retrieved 2015/01/16.
• 2、 -. "Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics". Page/Page column 20; 27-28. . Retrieved 2011/10/31.