1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione

Base Information

• Chemical Name: 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione
• CAS No.: 10557-13-8
• Molecular Formula: C10H7 F3 O2
• Molecular Weight: 216.16
• Hs Code.: 2914700090
• European Community (EC) Number: 671-263-2
• DSSTox Substance ID: DTXSID40380616
• Nikkaji Number: J2.308.547J
• Wikidata: Q82170942
• Mol file: 10557-13-8.mol

Synonyms:1-[4-(trifluoromethyl)phenyl]propane-1,2-dione;10557-13-8;1-(4-Trifluoromethylphenyl)-1,2-propanedione;1-(4-trifluoromethylphenyl)-1,2-propandione;1-(4-(trifluoromethyl)phenyl)propane-1,2-dione;SCHEMBL1435351;DTXSID40380616;MFCD01941310;AKOS015852872;FS-1208;CS-0321395;FT-0676484;1-[4-(Trifluoromethyl)phenyl]-1,2-propanedione;A801269;4-(2-Oxopropanoyl)benzotrifluoride, 2-Oxo-4'-(trifluoromethyl)propiophenone

Chemical Property of 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione

Chemical Property:

• Vapor Pressure: 0.022mmHg at 25°C
• Melting Point: 30-32
• Refractive Index: 1.458
• Boiling Point: 250.1°C at 760 mmHg
• Flash Point: 95.2°C
• PSA: 34.14000
• Density: 1.285g/cm³
• LogP: 2.47710
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 216.03981395
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione

There total 4 articles about 1-[4-(Trifluoromethyl)phenyl]propane-1,2-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: 72.0%

nitromethane (75-52-5) + 1-trifluoromethyl-4-vinyl-benzene (402-50-6) → 1-(4-(trifluoromethyl)phenyl)propane-1,2-dione (10557-13-8)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); oxygen; palladium diacetate; sodium carbonate; at 120 ℃; for 20h; under 6080.41 Torr; Autoclave;

DOI:10.1021/jo201029p

Reference yield: 47.0%

1-(prop-1-ynyl)-4-trifluoromethylbenzene (79756-87-9) → 1-(4-(trifluoromethyl)phenyl)propane-1,2-dione (10557-13-8)

Guidance literature:

With mercuric(II) nitrate monohydrate; In N,N-dimethyl-formamide; at 22 ℃; for 0.333333h;

DOI:10.1021/ol500592m

Reference yield:

Acetic acid 3-(4-trifluoromethyl-phenyl)-3H-diazirin-3-yl ester → 1-(4-(trifluoromethyl)phenyl)propane-1,2-dione (10557-13-8)

Guidance literature:

In pentane; at 25 ℃; for 2h; Irradiation;

DOI:10.1021/ja9626244

upstream raw materials:

nitromethane

1-trifluoromethyl-4-vinyl-benzene

1-(prop-1-ynyl)-4-trifluoromethylbenzene

Downstream raw materials:

2,5-dimethyl-4-{[4-(propan-2-yloxy)-1,3-thiazol-2-yl]methyl}aniline

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 10557-13-8 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione

Send

Send

Metric Ton KG G Pound L ML

Send

Send