Saflufenacil-N-desmethyl

Base Information

Chemical Name:Saflufenacil-N-desmethyl
CAS No.:854122-75-1
Molecular Formula:C16H15ClF4N4O5S
Molecular Weight:486.832
Hs Code.:
DSSTox Substance ID:DTXSID501348721

Synonyms:Saflufenacil-N-desmethyl;854122-75-1;2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluoro-N-[methyl(propan-2-yl)sulfamoyl]benzamide;CID 11329250;SCHEMBL341599;DTXSID501348721;Saflufenacil Metabolite M800H02, analytical standard;2-Chloro-5-[3,6-dihydro-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-N-[[methyl(1-methylethyl)amino]sulfonyl]benzamide;2-Chloro-5-[3,6-dihydro-2,6-dioxo-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluoro-N-[[N-methyl-N-(1-methylethyl)amino]sulfonyl]benzamide;2-chloro-5-[3,6-dihydro-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-N-{[methyl(1-methylethyl)amino]sulfonyl}benzamide;2-chloro-5-[3,6-dihydro-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-N-{[methyl-(1-methylethyl)amino]sulfonyl}benzamide

Suppliers and Price of Saflufenacil-N-desmethyl

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

Total 5 raw suppliers

Chemical Property of Saflufenacil-N-desmethyl

Chemical Property:

PSA：129.72000
Density:1.571±0.06 g/cm3(Predicted)
LogP:3.12360
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:486.0387811
Heavy Atom Count:31
Complexity:889

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)N(C)S(=O)(=O)NC(=O)C1=CC(=C(C=C1Cl)F)N2C(=O)C=C(NC2=O)C(F)(F)F

Technology Process of Saflufenacil-N-desmethyl

There total 2 articles about Saflufenacil-N-desmethyl 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: 100.0%

: 685568-56-3
N-(2-chloro-4-fluoro-5-isocyanatobenzoyl)-N'-methyl-(1-methylethyl)sulfamide

: 141860-78-8
ethyl 3-amino-4,4,4-trifluorocrotonate

: 854122-75-1
2-chloro-5-[3,6-dihydro-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-N-{[methyl(1-methylethyl)amino]sulfonyl}-benzamide

Guidance literature:: ethyl 3-amino-4,4,4-trifluorocrotonate; In DMF (N,N-dimethyl-formamide); hexane; for 0.666667h; Heating / reflux;

With sodium hydride; In DMF (N,N-dimethyl-formamide); at 5 - 8 ℃; for 0.25h;

N-(2-chloro-4-fluoro-5-isocyanatobenzoyl)-N'-methyl-(1-methylethyl)sulfamide; In tetrahydrofuran; DMF (N,N-dimethyl-formamide); at 22 ℃; for 2h; Product distribution / selectivity;

Reference yield: 92.7%

: 874909-61-2
N-{6-chloro-4-fluoro-3-[(ethoxycarbonyl)-amino]-benzoyl}-N'-iso-propyl-N'-methylsulfamide

: 372-29-2,141860-78-8
ethyl 3-amino-4,4,4-trifluoro-2-butenoate

: 854122-75-1
2-chloro-5-[3,6-dihydro-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-N-{[methyl(1-methylethyl)amino]sulfonyl}-benzamide

Guidance literature:: ethyl 3-amino-4,4,4-trifluoro-2-butenoate; With potassium methanolate; In methanol; N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

N-{6-chloro-4-fluoro-3-[(ethoxycarbonyl)-amino]-benzoyl}-N'-iso-propyl-N'-methylsulfamide; In methanol; N,N-dimethyl-formamide; at 20 - 119 ℃; Product distribution / selectivity;

Reference yield: 92.5%

: 854122-75-1
2-chloro-5-[3,6-dihydro-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-N-{[methyl(1-methylethyl)amino]sulfonyl}-benzamide

: 77-78-1
dimethyl sulfate

: 372137-35-4
saflufenacil

: C₁₈H₁₉ClF₄N₄O₅S

Guidance literature:: With potassium hydroxide; tetrabutylammomium bromide; In tetrahydrofuran; water; toluene; at 25 - 40 ℃; for 4h; pH=5.3 - 5.5; Product distribution / selectivity;