Pyriftalid

Base Information

• Chemical Name: Pyriftalid
• CAS No.: 135186-78-6
• Molecular Formula: C15H14N2O4S
• Molecular Weight: 318.35
• Hs Code.: 2934999041
• European Community (EC) Number: 603-904-9
• UNII: 4KJ568Y783
• DSSTox Substance ID: DTXSID5057961
• Nikkaji Number: J1.498.299J
• Wikidata: Q27155598
• Mol file: 135186-78-6.mol

Synonyms:CGA 279233;pyriftalid

Chemical Property of Pyriftalid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.635
• Boiling Point: 555.6°Cat760mmHg
• PKA: -0.47±0.50(Predicted)
• Flash Point: 289.8°C
• PSA: 95.84000
• Density: 1.39g/cm³
• LogP: 2.87640
• Storage Temp.: 0-6°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 318.06742811
• Heavy Atom Count: 22
• Complexity: 399

Purity/Quality:

98%,99%, ^*data from raw suppliers

Pyriftalid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=C(C(=CC=C2)SC3=NC(=CC(=N3)OC)OC)C(=O)O1
• Uses: Pyriftalid is a pesticide.

Technology Process of Pyriftalid

There total 23 articles about Pyriftalid 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: 92.0%

4,6-dimethoxypyrimidin-2-yl methyl sulfone (113583-35-0) + 7-mercapto-3-methyl-3H-isobenzofuran-1-one (135217-37-7) → pyriftalid (135186-78-6)

Guidance literature:

With triphenylphosphine; sodium hydroxide; In water; isopropyl alcohol; at 75 ℃; for 3h; Inert atmosphere;

DOI:10.1080/00304948.2017.1343041

Reference yield: 91.1%

2-chloro-4,6-dimethoxypyrimidine (13223-25-1) + 7-mercapto-3-methyl-3H-isobenzofuran-1-one (135217-37-7) → pyriftalid (135186-78-6)

Guidance literature:

With potassium carbonate; triphenylphosphine; In acetonitrile; at 55 ℃; for 23h;

DOI:10.1002/ps.304

Reference yield:

2-acetyl-6-nitrobenzoic acid (13619-70-0) → pyriftalid (135186-78-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: H₂ / 5 percent Pd/C / dioxane / 41 h / 30 - 100 °C / 1500.12 Torr

2.1: 37 percent HCl; NaNO₂ / H₂O / -5 - 0 °C

2.2: potassium xanthogenate; sodium hydroxide / H₂O / 0.67 h / 30 - 40 °C

3.1: 90.4 percent / K₂CO₃ / dimethylformamide / 2.5 h / 50 °C

With hydrogenchloride; hydrogen; potassium carbonate; sodium nitrite; palladium on activated charcoal; 5% Pd on active carbon; In 1,4-dioxane; water; N,N-dimethyl-formamide;

DOI:10.1002/ps.304

upstream raw materials:

4,6-dimethoxypyrimidin-2-yl methyl sulfone

7-mercapto-3-methyl-3H-isobenzofuran-1-one

2-chloro-4,6-dimethoxypyrimidine

3-chlorophthalic anhydride