Methyl 4-chlorophenylacetate

Base Information

• Chemical Name: Methyl 4-chlorophenylacetate
• CAS No.: 52449-43-1
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 29420000
• European Community (EC) Number: 257-927-0
• DSSTox Substance ID: DTXSID60200448
• Nikkaji Number: J295.661F
• Wikidata: Q72489367
• Mol file: 52449-43-1.mol

Synonyms:Methyl 4-chlorophenylacetate;52449-43-1;methyl 2-(4-chlorophenyl)acetate;Methyl (4-chlorophenyl)acetate;Benzeneacetic acid, 4-chloro-, methyl ester;(4-Chloro-phenyl)-acetic acid methyl ester;4-Chlorophenylacetic acid methyl ester;Methyl 4-Chlorophenyl acetate;EINECS 257-927-0;MFCD00032743;(4-Chlorophenyl)acetic Acid Methyl Ester;methyl(4-chlorophenyl)acetate;glycopyrroniumbromide;methyl p-chlorophenylacetate;SCHEMBL191324;methyl-(4-chlorophenyl)-acetate;DTXSID60200448;Methyl (4-chlorophenyl)acetate #;methyl-2-(4-chlorophenyl)acetate;AMY39242;BCP11098;AKOS000295887;4-Chlorobenzeneacetic acid methyl ester;CS-W022850;SY051360;(4-chlorophenyl)-acetic acid methyl ester;4-chloro-2-phenyl-acetic acid methyl ester;FT-0640070;M2039;EN300-142043;W-105824;Z18425668

Chemical Property of Methyl 4-chlorophenylacetate

Chemical Property:

• Appearance/Colour: clear slightly yellow liquid
• Vapor Pressure: 0.0382mmHg at 25°C
• Refractive Index: 1.522-1.524
• Boiling Point: 240.3 °C at 760 mmHg
• Flash Point: 108.8 °C
• PSA: 26.30000
• Density: 1.197 g/cm³
• LogP: 2.05550
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, DCM, Methanol
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

(4-Chlorophenyl)aceticAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CC1=CC=C(C=C1)Cl
• Recent EU Clinical Trials: The effect of glycopyrroniumbromide on nocturnal clozapine induced sialorrhea in psychiatric patients: a randomized, cross-over, double blind, placebo controlled trial with an extended open label phase (QUITSPIT study)
• Uses: (4-Chlorophenyl)acetic Acid Methyl Ester is an intermediate in the synthesis of 4-Chloro-N-(2-hydroxypropyl)benzeneacetamide (C368125), a reagent in the synthesis of Lorcaserin Hydrochloride (L469890).

Technology Process of Methyl 4-chlorophenylacetate

There total 34 articles about Methyl 4-chlorophenylacetate 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: 100.0%

4-chlorophenylacetic Acid (1878-66-6) + methanol (67-56-1) → (4-chloro-phenyl)-acetic acid methyl ester (52449-43-1)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1016/S0968-0896(03)00220-7

Reference yield: 100.0%

4-chlorophenylacetic Acid (1878-66-6) + methyl iodide (74-88-4) → (4-chloro-phenyl)-acetic acid methyl ester (52449-43-1)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃;

DOI:10.1002/adsc.201901343

Reference yield: 94.0%

4-chlorophenylacetic Acid (1878-66-6) → (4-chloro-phenyl)-acetic acid methyl ester (52449-43-1)

Guidance literature:

With sulfuric acid; In methanol; 1,2-dichloro-ethane;

upstream raw materials:

4-chlorophenylacetic Acid

methanol

p-chlorobenzyl cyanide

2-(p-Chlorphenyl)-1-methylsulfinyl-1-methylthio-ethylen

Downstream raw materials:

methyl (p-chlorphenyl)glyoxylate

methyl 2-(4-chlorophenyl)-2-methoxyacetate

2,3-bis(4-methoxyphenyl)succinate

methyl 2,2-dimethoxy-(4-chlorophenyl)acetate

Refernces

• 1、 -. "Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient". Paragraph 0435-0439. . Retrieved 2021/06/22.
• 2、 Guo, Jing,Mandal, Dipendu,Stephan, Douglas W.,Wu, Yile,Zhao, Yunbo. "B(C6F5)3-Catalyzed site-selective N1-alkylation of benzotriazoles with diazoalkanes". supporting information. p. 7758 - 7761. Retrieved 2021/08/13.