Ethyl 2,2-difluoro-2-quinolin-2-ylacetate

Base Information

• Chemical Name: Ethyl 2,2-difluoro-2-quinolin-2-ylacetate
• CAS No.: 294181-97-8
• Molecular Formula: C₁₃H₁₁F₂NO₂
• Molecular Weight: 251.233
• DSSTox Substance ID: DTXSID701286490
• Nikkaji Number: J1.309.149H
• Mol file: 294181-97-8.mol

Synonyms:294181-97-8;ethyl 2,2-difluoro-2-quinolin-2-ylacetate;ethyl 2,2-difluoro-2-(quinolin-2-yl)acetate;SCHEMBL14352068;DTXSID701286490;AMY17475;AKOS037645929;AS-64860;Ethyl alpha,alpha-difluoro-2-quinolineacetate;Difluoroquinolin-2-yl acetic acid ethyl ester;2,2-Difluoro-2-(quinolin-2-yl)-acetic acid ethyl ester;alpha,alpha-Difluoro-2-quinolineacetic acid ethyl ester

Chemical Property of Ethyl 2,2-difluoro-2-quinolin-2-ylacetate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 251.07578492
• Heavy Atom Count: 18
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(C1=NC2=CC=CC=C2C=C1)(F)F

Technology Process of Ethyl 2,2-difluoro-2-quinolin-2-ylacetate

There total 4 articles about Ethyl 2,2-difluoro-2-quinolin-2-ylacetate 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: 87.0%

2-iodoquinoline (6560-83-4) + α-(trimethylsilyl)difluoroacetic acid ethyl ester (205865-67-4) → 2,2-difluoro-2-(quinolin-2-yl)acetic acid ethyl ester (294181-97-8)

Guidance literature:

With potassium fluoride; copper(l) iodide; In dimethyl sulfoxide; at 60 ℃; for 15h; Inert atmosphere;

DOI:10.1021/ol202289z

Reference yield: 56.9%

2-iodoquinoline (6560-83-4) + Ethyl bromodifluoroacetate (667-27-6) → 2,2-difluoro-2-(quinolin-2-yl)acetic acid ethyl ester (294181-97-8)

Guidance literature:

Ethyl bromodifluoroacetate; With copper; In dimethyl sulfoxide; at 20 ℃; for 1h;

2-iodoquinoline; In dimethyl sulfoxide; at 20 ℃; for 5h;

DOI:10.1248/cpb.48.982

Reference yield: 37.4%

2-bromoquinoline (2005-43-8) + Ethyl bromodifluoroacetate (667-27-6) → 2,2-difluoro-2-(quinolin-2-yl)acetic acid ethyl ester (294181-97-8)

Guidance literature:

Ethyl bromodifluoroacetate; With copper; In dimethyl sulfoxide; at 20 ℃; for 1h;

2-bromoquinoline; In dimethyl sulfoxide; at 20 ℃; for 15h;

DOI:10.1248/cpb.48.982

upstream raw materials:

2-bromoquinoline

Ethyl bromodifluoroacetate

2-iodoquinoline

ethyl 2,2-difluoro-2-(triethylsilyl)acetate

Downstream raw materials:

2,2-difluoro-1-(2,4-difluorophenyl)-2-(2-quinolinyl)ethanone

2-[difluoro[2-(2,4-difluorophenyl)-2-oxiranyl]methyl]quinoline

2-(difluoromethyl)quinoline