N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

Basic Information

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CAS Number

145701-21-9

Molecular Formula

C13H10Cl2FN5O3S

Molecular Weight

406.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

218-221 °C

SMILES

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CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)Cl)F

InChI

InChI=1S/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3

InChIKey

QNXAVFXEJCPCJO-UHFFFAOYSA-N

LogP

2.769700000000001

Topological Polar Surface Area

98.47999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

558

Synonyms & References

English

[1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-
NCGC00163839-03
DICLOSULAM [MI]
DTXSID4034528
NCGC00163839-01
MFCD04972567
C18821
2',6'-DICHLORO-5-ETHOXY-7-FLUORO(1,2,4)TRIAZOLO(1,5-C)PYRIMIDINE-2-SULFONANILIDE
145701-21-9
AKOS015899984
NS00005913
Spider (herbicide); Strongarm; XDE 564
DTXCID2014528
CAS-145701-21-9
N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide
(1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-
N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
UNII-6X5DO0I08Z
FT-0631172
Tox21_300765
NCGC00163839-02
CHEBI:81984
J-008139
Diclosulam
NCGC00254669-01
SCHEMBL116344
CHEMBL1873575
N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro-(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide
Diclosulam 100 microg/mL in Acetonitrile
N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
Diclosulam [ISO]

MDL Number

MFCD04972567

Customs Code

2935009013

FAQ

What are the physical and chemical properties of N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CAS: 145701-21-9)?

N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is a crystalline solid with a molecular weight of approximately 427.92 g/mol. It has a low solubility in water but good solubility in organic solvents such as acetonitrile. The compound shows moderate reactivity, particularly towards nucleophiles. It is stable under normal laboratory conditions but should be handled under appropriate fume hood conditions to avoid inhalation exposure.

How is N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CAS: 145701-21-9) typically synthesized?

N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is typically synthesized through a multi-step process involving the synthesis of the 2,6-dichlorophenyl group, followed by a coupling reaction with 5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide. The synthesis can be achieved using a palladium-catalyzed coupling reaction with a suitable base, such as potassium tert-butoxide. The overall yield of the desired product is around 70-80%, with high selectivity towards the target compound.

What industries use N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CAS: 145701-21-9)?

N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is used primarily in the pharmaceutical industry as an intermediate for the synthesis of active pharmaceutical ingredients. It is also utilized in research for its potential applications in medicinal chemistry and drug discovery.

What precautions should be taken when handling N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CAS: 145701-21-9)?

When handling N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. In case of spillage, immediately clean up the spill using appropriate absorbent materials and dispose of them according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.