Chlozolinate

Base Information

• Chemical Name: Chlozolinate
• CAS No.: 84332-86-5
• Molecular Formula: C13H11 Cl2 N O5
• Molecular Weight: 332.14
• Hs Code.: 29251900
• European Community (EC) Number: 282-714-4
• UNII: 6YW05QFN1Y
• DSSTox Substance ID: DTXSID5058197
• Nikkaji Number: J20.646F
• Wikidata: Q15632809
• Metabolomics Workbench ID: 67764
• ChEMBL ID: CHEMBL2272378
• Mol file: 84332-86-5.mol

Synonyms:chlozolinate;dichlozolinate

Chemical Property of Chlozolinate

Chemical Property:

• Vapor Pressure: 2.74E-07mmHg at 25°C
• Melting Point: 110-114 °C
• Boiling Point: 420.8°C at 760 mmHg
• PKA: -4.24±0.40(Predicted)
• Flash Point: 100 °C
• PSA: 72.91000
• Density: 1.479
• LogP: 2.86340
• Storage Temp.: 0-6°C
• Water Solubility.: 2 mg l-1 (25 °C)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 331.0014278
• Heavy Atom Count: 21
• Complexity: 462

Purity/Quality:

98%Min ^*data from raw suppliers

Chlozolinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N,F
• Hazard Codes: Xn,N,F
• Statements: 40-51/53-67-65-50/53-38-11-20
• Safety Statements: 36/37-61-62-60-33-25-16-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C
• Uses: Chlozolinate controls fruit rot, downy mildew and brown rot in pome and stone fruits, vines, vegetables, strawberries and ornamentals caused by Botrytis, Monilia and Sclerotinia, efc. Chlozolinate is a dicarboximide fungicide which is used primarily on grapes.

Technology Process of Chlozolinate

There total 2 articles about Chlozolinate 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:

diethylic methyl-tartronate + 3,4-dichlorophenyl isocyanate (34893-92-0) → ethyl (RS)-3-(3',5'-dichlorophenyl)-5-methyl-2,4-dioxooxazolidine-5-carboxylate (84332-86-5)

Guidance literature:

With triethylamine; In benzene;

Reference yield:

→ ethyl (RS)-3-(3',5'-dichlorophenyl)-5-methyl-2,4-dioxooxazolidine-5-carboxylate (84332-86-5)

Guidance literature:

3,5-Dichlor-phenlisocyanat; Diethyl-methyltartronat-Et3N;

Reference yield:

ethyl (RS)-3-(3',5'-dichlorophenyl)-5-methyl-2,4-dioxooxazolidine-5-carboxylate (84332-86-5) → N-(3,5-Dichlorophenyl)-N-(2-hydroxypropanoyl)carbamic acid

Guidance literature:

With sodium hydroxide; In acetone; at 0 ℃; for 2h;

DOI:10.1002/ps.2780410206

upstream raw materials:

3,4-dichlorophenyl isocyanate

Downstream raw materials:

3-(3,5-Dichlorophenyl)-5-methyl-5-methyl-oxazolidine-2,4-dione

Refernces