Ethyl 4-(Chloromethyl)benzoate

Base Information

• Chemical Name: Ethyl 4-(Chloromethyl)benzoate
• CAS No.: 1201-90-7
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 2916399090
• European Community (EC) Number: 680-045-6
• NSC Number: 124619
• DSSTox Substance ID: DTXSID60298608
• Nikkaji Number: J723.722G
• Wikidata: Q72473680
• Mol file: 1201-90-7.mol

Synonyms:Ethyl 4-(Chloromethyl)benzoate;1201-90-7;Ethyl 4-chloromethylbenzoate;4-(Chloromethyl)benzoic Acid Ethyl Ester;NSC124619;Benzoic acid, 4-(chloromethyl)-, ethyl ester;Ethyl4-(Chloromethyl)benzoate;SCHEMBL3254724;DTXSID60298608;JTTXRFNOFFGPFI-UHFFFAOYSA-N;MFCD04337336;4-chloromethylbenzoic acid ethyl ester;AKOS005175079;NSC-124619;LS-04790;BB 0259537;E0662;FT-0633474;D90549;A804459

Chemical Property of Ethyl 4-(Chloromethyl)benzoate

Chemical Property:

• Appearance/Colour: white crystal powder
• Vapor Pressure: 0.00196mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 291.316 °C at 760 mmHg
• Flash Point: 142.291 °C
• PSA: 26.30000
• Density: 1.158 g/cm³
• LogP: 2.60210
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99.9% ^*data from raw suppliers

Ethyl 4-(Chloromethyl)benzoate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)CCl

Technology Process of Ethyl 4-(Chloromethyl)benzoate

There total 11 articles about Ethyl 4-(Chloromethyl)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: 96.0%

ethanol (64-17-5) + p-(chloromethyl)benzoyl chloride (876-08-4) → ethyl 4-chloromethylbenzoate (1201-90-7)

Guidance literature:

With pyridine; dmap; In diethyl ether; at 0 ℃; Inert atmosphere;

DOI:10.1055/S-0029-1217134

Reference yield: 91.0%

→ ethyl 4-chloromethylbenzoate (1201-90-7)

Guidance literature:

Reference yield: 80.0%

ethanol (64-17-5) + p-(chloromethyl)benzoic acid (1642-81-5) → ethyl 4-chloromethylbenzoate (1201-90-7)

Guidance literature:

With sulfuric acid; for 10h; Heating;

upstream raw materials:

ethanol

p-(chloromethyl)benzoyl chloride

p-(chloromethyl)benzoic acid

4-methylbenzoic acid ethyl ester

Downstream raw materials:

4-[(Methyl-prop-2-ynyl-amino)-methyl]-benzoic acid ethyl ester

2-((4'-carbethoxyphenyl)methyl)cyclopentanone

C₁₉H₂₀O₅

4-(4-Cyano-phenoxymethyl)-benzoic acid ethyl ester

Refernces

• 1、 -. "ORGANIC NANOFIBER STRUCTURE BASED ON SELF-ASSEMBLED ORGANOGEL, ORGANIC NANOFIBER TRANSISTOR USING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC NANOFIBER TRANSISTOR". Paragraph 0083. . Retrieved 2013/03/28.
• 2、 Um, Myoung-Chul,Kwak, Jeonghun,Hong, Jung-Pyo,Kang, Jihoon,Yoon, Do Yeung,Lee, Seong Hoon,Lee, Changhee,Hong, Jong-In. "High-performance organic semiconductors for thin-film transistors based on 2,7-divinyl[1]benzothieno[3,2-b]benzothiophene". scheme or table. p. 4698 - 4703. Retrieved 2010/03/24.