1-Cyclopropyl-4,4,4-trifluorobutane-1,3-dione

Base Information

• Chemical Name: 1-Cyclopropyl-4,4,4-trifluorobutane-1,3-dione
• CAS No.: 30923-69-4
• Molecular Formula: C7H7 F3 O2
• Molecular Weight: 180.127
• Hs Code.: 2914700090
• European Community (EC) Number: 675-366-3
• DSSTox Substance ID: DTXSID00458289
• Nikkaji Number: J142.986H
• Wikidata: Q72461208
• Mol file: 30923-69-4.mol

Synonyms:30923-69-4;1-cyclopropyl-4,4,4-trifluorobutane-1,3-dione;1-cyclopropyl-4,4,4-trifluoro-1,3-butanedione;1,3-Butanedione, 1-cyclopropyl-4,4,4-trifluoro-;1-cyclopropyl-4,4,4-trifluoro-butane-1,3-dione;SCHEMBL623520;DTXSID00458289;BCP34441;BBL038679;MFCD03419771;STK312404;AKOS000308268;2N-515S;AB91801;AT16900;FT-0680210;EN300-110270;J-504570

Chemical Property of 1-Cyclopropyl-4,4,4-trifluorobutane-1,3-dione

Chemical Property:

• Vapor Pressure: 0.992mmHg at 25°C
• Refractive Index: 1.414
• Boiling Point: 178.4°C at 760 mmHg
• PKA: 6?+-.0.20(Predicted)
• Flash Point: 55°C
• PSA: 34.14000
• Density: 1.374g/cm³
• LogP: 1.48700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 180.03981395
• Heavy Atom Count: 12
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

1-Cyclopropyl-4,4,4-trifluoro-1,3-butanedione 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)CC(=O)C(F)(F)F

Technology Process of 1-Cyclopropyl-4,4,4-trifluorobutane-1,3-dione

There total 3 articles about 1-Cyclopropyl-4,4,4-trifluorobutane-1,3-dione 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: 84.01%

Cyclopropyl methyl ketone (765-43-5) + ethyl trifluoroacetate, (383-63-1) → 1‐cyclopropyl‐4,4,4‐trifluorobutane‐1,3‐dione (30923-69-4)

Guidance literature:

ethyl trifluoroacetate,; With sodium hydride; In tetrahydrofuran; for 0.5h; Cooling with ice;

Cyclopropyl methyl ketone; In tetrahydrofuran; at 20 ℃; for 12h; Cooling with ice;

Reference yield: 22.0%

Cyclopropyl methyl ketone (765-43-5) + trifluoroacetic acid-methyl ester (431-47-0) → 1‐cyclopropyl‐4,4,4‐trifluorobutane‐1,3‐dione (30923-69-4)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 16h; Inert atmosphere;

Reference yield:

→ 1‐cyclopropyl‐4,4,4‐trifluorobutane‐1,3‐dione (30923-69-4)

Guidance literature:

upstream raw materials:

Cyclopropyl methyl ketone

ethyl trifluoroacetate,

trifluoroacetic acid-methyl ester

Downstream raw materials:

3-cyclopropyl-5-(trifluoromethyl)-1H-pyrazole

C₁₃H₁₁N₂F₃

4-bromo-5-cyclopropyl-3-trifluoromethyl-1-phenylpyrazole

4-bromo-5-cyclopropyl-3-trifluoromethylpyrazole