Lenacil

Base Information

• Chemical Name: Lenacil
• CAS No.: 2164-08-1
• Molecular Formula: C13H18 N2 O2
• Molecular Weight: 234.298
• Hs Code.: 2933599013
• European Community (EC) Number: 218-499-0
• UNII: X58DK6S8KX
• DSSTox Substance ID: DTXSID9042093
• Nikkaji Number: J3.387A
• Wikidata: Q1817371
• NCI Thesaurus Code: C541
• Metabolomics Workbench ID: 67656
• ChEMBL ID: CHEMBL1522462
• Mol file: 2164-08-1.mol

Synonyms:3-cyclohexyl-5,6-trimethyleneuracil;hexylure;lenacil;Venzar

Chemical Property of Lenacil

Chemical Property:

• Appearance/Colour: Colorless crystals
• Vapor Pressure: 1.79E-08mmHg at 25°C
• Melting Point: 316-326 ºC
• Refractive Index: 1.6450 (estimate)
• Boiling Point: 411°Cat760mmHg
• PKA: 10.66±0.20(Predicted)
• Flash Point: 202.4°C
• PSA: 54.86000
• Density: 1.32
• LogP: 1.53050
• Storage Temp.: 0-6°C
• Water Solubility.: 6mg/L(25 oC)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 234.136827821
• Heavy Atom Count: 17
• Complexity: 394

Purity/Quality:

99% ^*data from raw suppliers

Lenacil ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O
• Uses: Herbicide. Lenacil acts similarly in weed control. It is used preplanting by soil incorporation or as a preemergence treatment of fodder, red beets, and sugar beets. The chemical is also used on spinach, strawberries, and various ornamentals. Usage rates range from 0.4 to 1.2 kg/ha depending on the crop and soil type. Lenacil is an herbicide used in the protection of crops. Non-cytotoxic agent.

Technology Process of Lenacil

There total 3 articles about Lenacil 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:

bis(trichloromethyl) carbonate (32315-10-9) + 2-amino-1-cyclopentenecarboxylic acid (773099-73-3) + cyclohexylamine (108-91-8,157973-60-9) → lenacil (2164-08-1)

Guidance literature:

bis(trichloromethyl) carbonate; 2-amino-1-cyclopentenecarboxylic acid; In 1,2-dichloro-ethane; for 6h; Reflux; Large scale;

cyclohexylamine; In 1,2-dichloro-ethane; for 6h; Solvent; Reflux; Large scale;

Reference yield:

butyl 5-(cyclohexylureido)-cyclopent-1-ene-1-carboxylate (54010-15-0) → lenacil (2164-08-1)

Guidance literature:

With sodium butanolate; In butan-1-ol;

Reference yield:

→ lenacil (2164-08-1)

Guidance literature:

Natriumbutylat, Adipinsaeure, Cyclohexylharnstoff, H2SO4;

upstream raw materials:

butyl 5-(cyclohexylureido)-cyclopent-1-ene-1-carboxylate

bis(trichloromethyl) carbonate

2-amino-1-cyclopentenecarboxylic acid

cyclohexylamine

Refernces

• 1、 -. "Halopyridyl triazolinone herbicides and herbicidal use thereof". . . Retrieved 2008/06/13.
• 2、 -. "5,6-Dihydro-1,2,4,6-thiatriazin-5-one-1,1-dioxides". . . Retrieved 2008/06/13.