Desmetryn

Base Information

• Chemical Name: Desmetryn
• CAS No.: 1014-69-3
• Molecular Formula: C8H15 N5 S
• Molecular Weight: 213.307
• Hs Code.: 29336990
• European Community (EC) Number: 213-800-1
• UNII: 36FZV8OVJS
• DSSTox Substance ID: DTXSID6041842
• Nikkaji Number: J9.476E
• Wikidata: Q3024532
• Mol file: 1014-69-3.mol

Synonyms:2-isopropylamino-4-methylamino-6-methylmercapto-s- triazine;desmetryn;desmetryne;semeron

Chemical Property of Desmetryn

Chemical Property:

• Vapor Pressure: 3.75E-06mmHg at 25°C
• Melting Point: 85°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 385.6°Cat760mmHg
• PKA: 3.66±0.41(Predicted)
• Flash Point: 187°C
• PSA: 88.03000
• Density: 1.18g/cm³
• LogP: 1.60150
• Storage Temp.: APPROX 4°C
• Water Solubility.: 0.6g/L(20 oC)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 213.10481667
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

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

Desmetryn ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N,T,F
• Hazard Codes: Xn,N,T,F
• Statements: 21/22-50/53-39/23/24/25-23/24/25-11
• Safety Statements: 36/37-60-61-45-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Triazine
• Canonical SMILES: CC(C)NC1=NC(=NC(=N1)NC)SC
• Uses: Desmetryn is used as an herbicide in the treatment of crops and vegetables. It is used to control specifically white goosefoot, as well as other weeds and grasses.

Technology Process of Desmetryn

There total 2 articles about Desmetryn 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: 86.0%

6-chloro-N2-isopropyl-N4-methyl-1,3,5-triazine-2,4-diamine (3004-71-5) + carbonic acid dimethyl ester (616-38-6) → Caswell No. 509B (1014-69-3)

Guidance literature:

With potassium tert-butylate; palladium diacetate; triphenylphosphine; potassium thioacetate; In dimethyl sulfoxide; at 120 ℃; Inert atmosphere;

Reference yield:

→ Caswell No. 509B (1014-69-3)

Guidance literature:

upstream raw materials:

6-chloro-N²-isopropyl-N⁴-methyl-1,3,5-triazine-2,4-diamine

carbonic acid dimethyl ester

Refernces

• 1、 -. "Methyl aryl thioether compound, and synthetic method and applications thereof". Paragraph 0176; 0177; 0178. . Retrieved 2017/07/21.
• 2、 -. "Herbicidal compositions". . . Retrieved 2008/06/13.