Difluoro-(4-nitro-phenoxy)-acetic acid ethyl ester

Base Information

• Chemical Name: Difluoro-(4-nitro-phenoxy)-acetic acid ethyl ester
• CAS No.: 383670-74-4
• Molecular Formula: C10H9F2NO5
• Molecular Weight: 261.17900
• DSSTox Substance ID: DTXSID80700894
• Wikidata: Q82632391
• Mol file: 383670-74-4.mol

Synonyms:383670-74-4;DIFLUORO-(4-NITRO-PHENOXY)-ACETIC ACID ETHYL ESTER;ethyl 2,2-difluoro-2-(4-nitrophenoxy)acetate;SCHEMBL6982125;DTXSID80700894;Ethyl difluoro(4-nitrophenoxy)acetate;AKOS015150901;ethyl2,2-difluoro-2-(4-nitrophenoxy)acetate;EN300-268193;ethyl 2,2-difluoro-2-(4-nitrophenyloxy)acetate;Z1278620681

Chemical Property of Difluoro-(4-nitro-phenoxy)-acetic acid ethyl ester

Chemical Property:

• PSA: 81.35000
• LogP: 2.65270
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 261.04487871
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2,2-difluoro-2-(4-nitrophenoxy)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(OC1=CC=C(C=C1)[N+](=O)[O-])(F)F

Technology Process of Difluoro-(4-nitro-phenoxy)-acetic acid ethyl ester

There total 2 articles about Difluoro-(4-nitro-phenoxy)-acetic acid ethyl 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: 11.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + Ethyl bromodifluoroacetate (667-27-6) → ethyl 2,2-difluoro-2-(4-nitrophenoxy)acetate (383670-74-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/anie.201504665

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + Ethyl bromodifluoroacetate (667-27-6) + 1,8-diazabicyclo[5.4.0]undec-7-ene (6674-22-2,83329-50-4) → ethyl 2,2-difluoro-2-(4-nitrophenoxy)acetate (383670-74-4)

Guidance literature:

In tetrahydrofuran;

Reference yield: 67.0%

ethyl 2,2-difluoro-2-(4-nitrophenoxy)acetate (383670-74-4) → 2,2-difluoro-2-(4-nitrophenoxy)acetic acid (24210-51-3)

Guidance literature:

With water; sodium hydroxide; In diethyl ether; at 20 ℃; for 3h;

DOI:10.1002/anie.201504665

upstream raw materials:

4-nitro-phenol

Ethyl bromodifluoroacetate

1,8-diazabicyclo[5.4.0]undec-7-ene

Downstream raw materials:

ethyl 2-(3-aminophenyloxy)-2,2-difluoroacetate hydrochloride

ethyl 2-(4-aminophenyloxy)-2,2-difluoroacetate hydrochloride

2,2-difluoro-2-(4-nitrophenoxy)acetic acid

1-(bromodifluoromethoxy)-4-nitrobenzene

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