3,4-Difluorophenylacetic acid methyl ester

Base Information

• Chemical Name: 3,4-Difluorophenylacetic acid methyl ester
• CAS No.: 210530-71-5
• Molecular Formula: C9H8F2O2
• Molecular Weight: 186.158
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00592697
• Wikidata: Q82486942
• Mol file: 210530-71-5.mol

Synonyms:210530-71-5;3,4-DIFLUOROPHENYLACETIC ACID METHYL ESTER;Methyl 2-(3,4-difluorophenyl)acetate;Methyl 3,4-Difluorophenylacetate;methyl (3,4-difluorophenyl)acetate;Benzeneacetic acid, 3,4-difluoro-, methyl ester;SCHEMBL1717077;DTXSID00592697;WXOJCEHMQHERFQ-UHFFFAOYSA-N;AMY42555;Methyl2-(3,4-difluorophenyl)acetate;MFCD04972824;AKOS017518017;AS-15877;DB-005261;F82828;(3,4-difluoro-phenyl)-acetic acid methyl ester;A815099

Chemical Property of 3,4-Difluorophenylacetic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.187mmHg at 25°C
• Boiling Point: 211°C at 760 mmHg
• Flash Point: 79.4°C
• PSA: 26.30000
• Density: 1.235g/cm³
• LogP: 1.68030
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.04923582
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

98%min ^*data from raw suppliers

Methyl2-(3,4-Difluorophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC(=C(C=C1)F)F

Technology Process of 3,4-Difluorophenylacetic acid methyl ester

There total 4 articles about 3,4-Difluorophenylacetic acid methyl ester 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%

methanol (67-56-1) + (3,4-difluorophenyl)acetic acid (658-93-5) → (3,4-difluoro-phenyl)-acetic acid methyl ester (210530-71-5)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

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

Reference yield: 100.0%

(3,4-difluorophenyl)acetic acid (658-93-5) + methyl iodide (74-88-4) → (3,4-difluoro-phenyl)-acetic acid methyl ester (210530-71-5)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃;

DOI:10.1002/adsc.201901343

Reference yield: 99.0%

(3,4-difluorophenyl)acetic acid (658-93-5) → (3,4-difluoro-phenyl)-acetic acid methyl ester (210530-71-5)

Guidance literature:

With sulfuric acid; In methanol;

upstream raw materials:

methanol

(3,4-difluorophenyl)acetic acid

methyl iodide

Downstream raw materials:

methyl 2-(3,4-difluorophenyl)pent-4-enoate

1-amino-3-(3,4-difluorophenyl)piperidin-2-one

N'-[2-(3,4-difluorophenyl)acetyl]-2-ethyl-4-methoxy-3-methyl-benzohydrazide

N'-[2-(3,4-Difluorophenyl)acetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide

Refernces

• 1、 Stivanin, Mateus L.,Fernandes, Alessandra A. G.,da Silva, Amanda F.,Okada, Celso Y.,Jurberg, Igor D.. "Blue Light-Promoted N?H Insertion of Carbazoles, Pyrazoles and 1,2,3-Triazoles into Aryldiazoacetates". supporting information. p. 1106 - 1111. Retrieved 2020/01/25.
• 2、 Pour, Milan,Spulak, Marcel,Balsanek, Vojtech,Kunes, Jiri,Kubanova, Petra,Buchta, Vladimir. "Synthesis and structure-antifungal activity relationships of 3-aryl-5-alkyl-2,5-dihydrofuran-2-ones and their carbanalogues: Further refinement of tentative pharmacophore group". . p. 2843 - 2866. Retrieved 2007/10/03.