Thiacloprid

Base Information

• Chemical Name: Thiacloprid
• CAS No.: 111988-49-9
• Molecular Formula: C₁₀H₉ClN₄S
• Molecular Weight: 252.727
• Hs Code.: 29349990
• European Community (EC) Number: 601-147-9
• UNII: DSV3A944A4
• DSSTox Substance ID: DTXSID7034961,DTXSID60861210
• Nikkaji Number: J1.459.101J
• Wikipedia: Thiacloprid
• Wikidata: Q416283,Q63408702,Q105031333
• ChEMBL ID: CHEMBL451432
• Mol file: 111988-49-9.mol

Synonyms:3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene cyanamide;calypso;thiacloprid

Chemical Property of Thiacloprid

Chemical Property:

• Appearance/Colour: yellowish crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 136oC
• Refractive Index: 1.691
• Boiling Point: 423.1 °C at 760 mmHg
• PKA: 0.01±0.10(Predicted)
• Flash Point: 209.7 °C
• PSA: 77.58000
• Density: 1.42 g/cm³
• LogP: 2.05878
• Storage Temp.: 0-6°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 252.0236452
• Heavy Atom Count: 16
• Complexity: 324

Purity/Quality:

97%TC 48%SC ^*data from raw suppliers

Thiacloprid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22-52/53
• Safety Statements: 60

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Insecticides, Neonicotinoid
• Canonical SMILES: C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl
• Uses: Insecticide.

Technology Process of Thiacloprid

There total 5 articles about Thiacloprid 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: 97.6%

2-chloro-5-(chloromethyl)pyridine (70258-18-3) + 2-cyanomethylidene-1,3-thiazolidine → thiacloprid (111988-49-9)

Guidance literature:

With N,N,N',N'-tetramethylguanidine; In dichloromethane; at 10 - 45 ℃; for 15h; Temperature; Solvent; Reagent/catalyst; Large scale; Green chemistry;

Reference yield: 95.5%

2-chloro-5-(chloromethyl)pyridine (70258-18-3) + 2-(N-cyanoimino)thiazolidine (26364-65-8) → thiacloprid (111988-49-9)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol; at 40 ℃; for 0.05h; under 5250.53 Torr; Reagent/catalyst; Temperature; Flow reactor;

Reference yield:

thiacloprid (111988-49-9) → (E)-{3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide (111988-49-9)

Guidance literature:

With oxygen; In water; Reagent/catalyst; Kinetics; γ-Irradiation; Inert atmosphere;

DOI:10.1016/j.cattod.2016.11.055

upstream raw materials:

2-chloro-5-(chloromethyl)pyridine

2-(N-cyanoimino)thiazolidine

Refernces

• 1、 -. "Thiacloprid preparation method and system". Paragraph 0037-0080. . Retrieved 2021/09/08.
• 2、 -. "Aqueous-phase synthesis method of thiacloprid". Paragraph 0009; 0024; 0035-0046. . Retrieved 2018/04/02.