Thifluzamide

Base Information

• Chemical Name: Thifluzamide
• CAS No.: 130000-40-7
• Molecular Formula: C13H6Br2F6N2O2S
• Molecular Weight: 528.067
• Hs Code.: 29341000
• UNII: 2J3TB6Z254
• DSSTox Substance ID: DTXSID6057954
• Nikkaji Number: J634.827K
• Wikidata: Q19309974
• Mol file: 130000-40-7.mol

Synonyms:2',6'-dibromo-2-methyl-4'-trifluoromethoxy-4-trifluoromethyl-1,3-thiazole-5-carboxanilide;MON 24000;MON-24000;MON24000;thifluzamide

Chemical Property of Thifluzamide

Chemical Property:

• Vapor Pressure: 7.51E-06mmHg at 25°C
• Melting Point: 178℃
• Refractive Index: 1.569
• Boiling Point: 375.9 °C at 760mmHg
• PKA: 8.24±0.70(Predicted)
• Flash Point: 181.2 °C
• PSA: 79.46000
• Density: 1.93 g/cm³
• LogP: 6.21920
• Storage Temp.: 0-6°C
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 527.84004
• Heavy Atom Count: 26
• Complexity: 512

Purity/Quality:

99.9% ^*data from raw suppliers

Thifluzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F

Technology Process of Thifluzamide

There total 3 articles about Thifluzamide 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: 84.6%

2,6-dibromo-4-(trifluoromethoxy)aniline (88149-49-9) + 2-methyl-4-trifluoromethylthiazole-5-carboxylic acid (117724-63-7) → thifluzamide (130000-40-7)

Guidance literature:

With trichlorophosphate; In acetonitrile; at 55 ℃; for 8.5h; Temperature;

Reference yield:

2,6-dibromo-4-(trifluoromethoxy)aniline (88149-49-9) + 2-methyl-4-trifluoromethylthiazole-5-carbonyl chloride (117724-64-8) → thifluzamide (130000-40-7)

Guidance literature:

With zinc(II) chloride; dibenzoyl peroxide; at 90 ℃; for 4h; Temperature; Reagent/catalyst;

Reference yield:

→ thifluzamide (130000-40-7)

Guidance literature:

upstream raw materials:

2,6-dibromo-4-(trifluoromethoxy)aniline

2-methyl-4-trifluoromethylthiazole-5-carboxylic acid

2-methyl-4-trifluoromethylthiazole-5-carbonyl chloride

Refernces

• 1、 -. "Novel technology of preparing thifluzamide from thiazole acid". Paragraph 0010-0012. . Retrieved 2018/06/04.
• 2、 -. "Thifluzamide with improved efficacy". . . Retrieved 2008/06/13.