Terbutryn

Base Information

• Chemical Name: Terbutryn
• CAS No.: 886-50-0
• Molecular Formula: C10H19N5S
• Molecular Weight: 241.36
• Hs Code.: 2933699012
• European Community (EC) Number: 212-950-5
• UNII: ZXL474TLFP
• DSSTox Substance ID: DTXSID3024318
• Nikkaji Number: J9.469B
• Wikidata: Q2404338
• Metabolomics Workbench ID: 52363
• ChEMBL ID: CHEMBL1234490
• Mol file: 886-50-0.mol

Synonyms:2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazine;2-ethylamino-6-methylthio-4-tert-butylamino-1,3, 5-triazine;Clarosan;terbutrin;terbutryn;terbutryne

Chemical Property of Terbutryn

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 1.21E-06mmHg at 25°C
• Melting Point: 104-105 °C
• Refractive Index: 1.55
• Boiling Point: 401.1 °C at 760 mmHg
• PKA: 4.03±0.10(Predicted)
• Flash Point: 196.4 °C
• PSA: 88.03000
• Density: 1.13 g/cm³
• LogP: 2.38170
• Storage Temp.: APPROX 4°C
• Water Solubility.: 0.0025 g/100 mL
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 241.13611680
• Heavy Atom Count: 16
• Complexity: 206

Purity/Quality:

98% ^*data from raw suppliers

Terbutryn ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi, N, F
• Hazard Codes: Xi,N,Xn,F
• Statements: 36-50/53-20/21/22-11
• Safety Statements: 26-60-61-36/37-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Triazine
• Canonical SMILES: CCNC1=NC(=NC(=N1)SC)NC(C)(C)C
• Description: Terbutin is a systemic and conductive herbicide, which can be used for pre-emergence and post-emergence weeding, and the effective period in the soil is 3-10 weeks. It is mainly used in winter wheat, barley, sorghum, sunflower, potatoes, peas, soybeans, peanuts and other crop fields to control perennial ryegrass, ryegrass and autumn germinating chickweed, marigolds, poppies, kangaroo, crabgrass, foxtail Wait.
• Uses: A labelled triazine herbicide. Selective herbicide for control of annual broad-leaved and grass weeds in wheat.

Technology Process of Terbutryn

There total 2 articles about Terbutryn 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: 99.0%

terbuthylazine (5915-41-3,63026-57-3) + carbonic acid dimethyl ester (616-38-6) → terbutryn (886-50-0)

Guidance literature:

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

Reference yield:

→ terbutryn (886-50-0)

Guidance literature:

Reference yield:

MCPA (94-74-6) + terbutryn (886-50-0) → 2-methyl,4-chlorophenoxyacetic acid terbutryn

Guidance literature:

In n-heptane; at 5 ℃;

upstream raw materials:

terbuthylazine

carbonic acid dimethyl ester

Refernces

• 1、 -. "Methyl aryl thioether compound, and synthetic method and applications thereof". Paragraph 0185; 0186; 0187. . Retrieved 2017/07/21.
• 2、 -. "Plant-protective and pest-control agent". . . Retrieved 2008/06/13.