2-Methyl-2-propanyl 5,7-dichloro-6-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1H)-isoquinolinecarboxylate | CAS No. 851784-78-6

2-Methyl-2-propanyl 5,7-dichloro-6-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1H)-isoquinolinecarboxylate

Basic Information

CAS Number

851784-78-6

Molecular Formula

C15H16Cl2F3NO5S

Molecular Weight

450.26 g/mol

AD

Basic Physical Properties

ClC1=CC2=C(C(Cl)=C1OS(C(F)(F)F)(=O)=O)CCN(C(OC(C)(C)C)=O)C2

InChI

InChI=1S/C15H16Cl2F3NO5S/c1-14(2,3)25-13(22)21-5-4-9-8(7-21)6-10(16)12(11(9)17)26-27(23,24)15(18,19)20/h6H,4-5,7H2,1-3H3

InChIKey

HTCDWDOPCPUOFY-UHFFFAOYSA-N

LogP

4.515000000000002

Topological Polar Surface Area

72.91 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Synonyms & References

English

  • 2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester

MDL Number

MFCD31706233

FAQ

What regulatory guidelines apply to 2-Methyl-2-propanyl 5,7-dichloro-6-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 851784-78-6)?

2-Methyl-2-propanyl 5,7-dichloro-6-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1H)-isoquinolinecarboxylate falls under the scope of the REACH regulation for chemical substances. It is also subject to GHS classification for hazardous chemicals, with specific classifications for its flammability, reactivity, and environmental hazards. FDA and EPA may have additional requirements based on its use in pharmaceuticals or industrial applications.

Are there alternatives to 2-Methyl-2-propanyl 5,7-dichloro-6-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1H)-isoquinolinecarboxylate in synthesis?

Several alternatives can be used in the synthesis of 2-Methyl-2-propanyl 5,7-dichloro-6-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1H)-isoquinolinecarboxylate, including 2,2-Dimethyl-5,7-dichloro-6-[(trifluoromethyl)sulfonyloxy]-3,4-dihydro-2(1H)-isoquinolinecarboxylic acid and its isomers. Common alternative reagents include 2-methyl-2-propanol and 5,7-dichloro-6-[(trifluoromethyl)sulfonyloxy]-3,4-dihydro-2(1H)-isoquinoline-2-carboxylic acid.

What is the market or research trend for 2-Methyl-2-propanyl 5,7-dichloro-6-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1H)-isoquinolinecarboxylate?

The market for 2-Methyl-2-propanyl 5,7-dichloro-6-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1H)-isoquinolinecarboxylate is growing due to its applications in pharmaceuticals and agriculture. Research trends focus on its use as an intermediate in drug discovery and as a herbicide. Due to its complex structure and properties, there is ongoing interest in its synthesis and applications.

How should waste containing 2-Methyl-2-propanyl 5,7-dichloro-6-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 851784-78-6) be handled?

Waste containing 2-Methyl-2-propanyl 5,7-dichloro-6-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1H)-isoquinolinecarboxylate should be collected in appropriate containers and stored in a cool, well-ventilated area. Disposal should comply with local, state, and federal regulations. Incineration or professional waste disposal services are recommended, as the compound is hazardous. Proper environmental protection measures should be taken to prevent contamination of soil and water sources.

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