4,4,4-Trifluoro-1-(1,3-thiazol-2-yl)butane-1,3-dione

Base Information

• Chemical Name: 4,4,4-Trifluoro-1-(1,3-thiazol-2-yl)butane-1,3-dione
• CAS No.: 306935-40-0
• Molecular Formula: C7H4 F3 N O2 S
• Molecular Weight: 223.175
• DSSTox Substance ID: DTXSID10380264
• Nikkaji Number: J2.828.586H
• Wikidata: Q82170431
• Mol file: 306935-40-0.mol

Synonyms:306935-40-0;4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butane-1,3-dione;Trifluorothiazolylbutanedione;4,4,4-Trifluoro-1-(thiazol-2-yl)butane-1,3-dione;1,3-Butanedione, 4,4,4-trifluoro-1-(2-thiazolyl)-;SCHEMBL7321698;DTXSID10380264;RABBUDYHJFHMOA-UHFFFAOYSA-N;MFCD01570586;4-METHYL-PENTANOICACIDHYDRAZIDE;AKOS009157420;SB36497;CS-0340077;FT-0616963;A924768;1-(2-Thiazolyl)-4,4,4-trifluorobutane-1,3-dione;J-513959

Chemical Property of 4,4,4-Trifluoro-1-(1,3-thiazol-2-yl)butane-1,3-dione

Chemical Property:

• Vapor Pressure: 0.00831mmHg at 25°C
• Refractive Index: 1.477
• Boiling Point: 267.1°Cat760mmHg
• Flash Point: 115.3°C
• Density: 1.485g/cm³
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 222.99148403
• Heavy Atom Count: 14
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=N1)C(=O)CC(=O)C(F)(F)F

Technology Process of 4,4,4-Trifluoro-1-(1,3-thiazol-2-yl)butane-1,3-dione

There total 1 articles about 4,4,4-Trifluoro-1-(1,3-thiazol-2-yl)butane-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:

2-Acetylthiazole (24295-03-2,260998-74-1) + ethyl trifluoroacetate, (383-63-1) → C7H4F3NO2S (306935-40-0)

Guidance literature:

With sodium methylate; In tetrahydrofuran; methanol; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2014.01.075

Reference yield: 98.0%

C7H4F3NO2S (306935-40-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-(1,3-diphenyl-3-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)thiazole

Guidance literature:

With trifluorormethanesulfonic acid; In chloroform; at 25 ℃; for 2h; stereoselective reaction;

Reference yield:

Cyanothioacetamide (7357-70-2) + C7H4F3NO2S (306935-40-0) → C10H4F3N3S2 (1581726-03-5)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In ethanol; at 20 ℃; Reflux;

DOI:10.1016/j.bmcl.2014.01.075

upstream raw materials:

2-Acetylthiazole

ethyl trifluoroacetate,

Downstream raw materials:

C₁₀H₄F₃N₃S₂

Refernces