Methyl 2-chloro-2-(2-fluorophenyl)acetate

Base Information

• Chemical Name: Methyl 2-chloro-2-(2-fluorophenyl)acetate
• CAS No.: 90055-51-9
• Molecular Formula: C9H8ClFO2
• Molecular Weight: 202.61000
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID201284520

Synonyms:Methyl 2-chloro-2-(2-fluorophenyl)acetate;90055-51-9;SCHEMBL7116479;DTXSID201284520;AKOS011506181;Methyl alpha-chloro-2-fluorobenzeneacetate;Methyl2-chloro-2-(2-fluorophenyl)acetate;CS-0264143;EN300-92044;A922501

Chemical Property of Methyl 2-chloro-2-(2-fluorophenyl)acetate

Chemical Property:

• PSA: 26.30000
• LogP: 2.27860
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.0196853
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

methyl2-chloro-2-(2-fluorophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C1=CC=CC=C1F)Cl

Technology Process of Methyl 2-chloro-2-(2-fluorophenyl)acetate

There total 2 articles about Methyl 2-chloro-2-(2-fluorophenyl)acetate 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:

2-fluorophenylacetic acid pentafluorophenyl ester → methyl alpha-chloro (2-fluoro phenyl)-acetate (90055-51-9)

Guidance literature:

Multi-step reaction with 2 steps

1: N-chloro-succinimide; 3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidine / tetrahydrofuran / 63 h / -60 °C / Schlenk technique

2: tetrahydrofuran / 8 h / -60 - 20 °C / Schlenk technique

With N-chloro-succinimide; 3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidine; In tetrahydrofuran;

DOI:10.1021/acs.orglett.1c02256

Reference yield:

methanol (67-56-1) + C14H5ClF6O2 → methyl alpha-chloro (2-fluoro phenyl)-acetate (90055-51-9)

Guidance literature:

In tetrahydrofuran; at -60 - 20 ℃; for 8h; Schlenk technique;

DOI:10.1021/acs.orglett.1c02256

Reference yield: 70.0%

5,6,7,7a-tetrahydrothieno[3,2-c]pyridine-2(4H)-one monohydrochloride (109904-37-2) + methyl alpha-chloro (2-fluoro phenyl)-acetate (90055-51-9) → Methyl alpha-(2-oxo 2,4,5,6,7,7a-hexahydro thieno [3,2-c] 5-pyridyl) (2-fluoro phenyl)-acetate

Guidance literature:

upstream raw materials:

methanol

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