Cycloate

Base Information

• Chemical Name: Cycloate
• CAS No.: 1134-23-2
• Deprecated CAS: 71330-39-7,102827-02-1
• Molecular Formula: C11H21 N O S
• Molecular Weight: 215.36
• Hs Code.: 2930909090
• European Community (EC) Number: 214-482-7
• UN Number: 3082,2992
• UNII: IMZ37NA07H
• DSSTox Substance ID: DTXSID6032356
• Nikkaji Number: J7.271K
• Wikidata: Q1147426
• ChEMBL ID: CHEMBL1889969
• Mol file: 1134-23-2.mol

Synonyms:cycleate;cycloate;ethsane;etsan;Ro-neet;Roneet;S-ethyl-N-cyclohexylthiocarbamate

Chemical Property of Cycloate

Chemical Property:

• Appearance/Colour: Amber Liquid
• Vapor Pressure: 0.002Pa at 25℃
• Melting Point: 11.5
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 303 °C at 760 mmHg
• PKA: -1.30±0.20(Predicted)
• Flash Point: 137.1 °C
• PSA: 45.61000
• Density: 1.02 g/cm³
• LogP: 3.51410
• Storage Temp.: 0-6°C
• Water Solubility.: 85mg/L(22 oC)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 215.13438547
• Heavy Atom Count: 14
• Complexity: 178
• Transport DOT Label: Class 9

Purity/Quality:

99.9% ^*data from raw suppliers

Cycloate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Thiocarbamate
• Canonical SMILES: CCN(C1CCCCC1)C(=O)SCC
• Uses: Herbicide used to control several broad-leaved weeds and many annual grasses in sugar beets, table beets and spinach

Technology Process of Cycloate

There total 3 articles about Cycloate 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: 80.0%

→ cycloate (1134-23-2)

Guidance literature:

Reference yield:

N-ethyl-cyclohexanamine (5459-93-8) → cycloate (1134-23-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfur; K₂CO₃ / dimethylsulfoxide / 5 h / 20 °C / 760.05 Torr

2: dimethylsulfoxide / 1 h / 20 °C / atmospheric pressure

With potassium carbonate; sulfur; In dimethyl sulfoxide;

DOI:10.1016/j.tet.2004.01.060

Reference yield:

ethyl iodide (75-03-6) + cyclohexyl-ethyl-thiocarbamic acid; compound with cyclohexyl-ethyl-amine → cycloate (1134-23-2)

Guidance literature:

In dimethyl sulfoxide; at 20 ℃; for 1h; atmospheric pressure;

DOI:10.1016/j.tet.2004.01.060

upstream raw materials:

ethyl iodide

N-ethyl-cyclohexanamine

Downstream raw materials:

ethylamine

cycloate sulphone

C₁₁H₂₁NO₂S

Refernces

• 1、 -. "Soluble polymer based matrix for chemically active water insoluble components". . . Retrieved 2008/06/13.
• 2、 -. "Phenylglyoxylonitrile-2-oxime-cyanomethyl ether as plant growth regulator". . . Retrieved 2008/06/13.