Tembotrione

Base Information

Chemical Name:Tembotrione
CAS No.:335104-84-2
Deprecated CAS:263401-02-1
Molecular Formula:C17H16ClF3O6S
Molecular Weight:440.825
Hs Code.:
UNII:WA5UZ202KS
ChEMBL ID:CHEMBL2272077
DSSTox Substance ID:DTXSID5047037
Metabolomics Workbench ID:155915
Nikkaji Number:J2.663.465B
Wikidata:Q2372037
Mol file:335104-84-2.mol

Synonyms:tembotrione

Suppliers and Price of Tembotrione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Tembotrione
500mg
$ 350.00

Sigma-Aldrich
Tembotrione PESTANAL
100mg
$ 95.00

Ambeed
2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione 95+%
1g
$ 569.00

Ambeed
2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione 95+%
250mg
$ 212.00

Ambeed
2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione 95+%
100mg
$ 149.00

Total 65 raw suppliers

Chemical Property of Tembotrione

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:612.86oC at 760 mmHg
PKA:3.17±0.50(Predicted)
Flash Point:324.446oC
PSA：102.96000
Density:1.458g/cm3
LogP:4.02420
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:440.0308216
Heavy Atom Count:28
Complexity:714

Purity/Quality:

99.9% ^*data from raw suppliers

Tembotrione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn,N
Statements: 43-50/53
Safety Statements: 36/37-60-61

MSDS Files:: Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F

Technology Process of Tembotrione

There total 9 articles about Tembotrione 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: 95.0%

: 263401-21-4
2-chloro-3-(2,2,2-trifluoroethoxy)methyl-4-methanesulfonylbenzoic acid 3-oxo-1-cyclohexenyl ester

: 335104-84-2
tembotrione

Guidance literature:: With Cyanoaceton; triethylamine; In acetonitrile; at 20 ℃; for 24h;

Reference yield: 86.0%

: 120100-77-8
2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid

: 504-02-9
1,3-cylohexanedione

: 335104-84-2
tembotrione

Guidance literature:: 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid; With thionyl chloride; In 1,2-dichloro-ethane; N,N-dimethyl-formamide; Reflux;

1,3-cylohexanedione; With triethylamine; In 1,2-dichloro-ethane; at 25 - 30 ℃; Solvent; Temperature;

Reference yield:

: 1118729-23-9
2-chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl chloride

: 504-02-9
1,3-cylohexanedione

: 335104-84-2
tembotrione

Guidance literature:: 2-chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl chloride; With thionyl chloride; In 1,2-dichloro-ethane; at 15 - 75 ℃; for 3.5h;

1,3-cylohexanedione; With triethylamine; 2-hydroxy-2-methylpropanenitrile; In 1,2-dichloro-ethane; at 40 ℃; for 6h;