2-Methyl-2-propanyl 5,7-dichloro-6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate | CAS No. 851784-76-4

2-Methyl-2-propanyl 5,7-dichloro-6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate

Basic Information

CAS Number

851784-76-4

Molecular Formula

C14H17Cl2NO3

Molecular Weight

318.2 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)N1CCc2c(cc(c(c2Cl)O)Cl)C1

InChI

InChI=1S/C14H17Cl2NO3/c1-14(2,3)20-13(19)17-5-4-9-8(7-17)6-10(15)12(18)11(9)16/h6,18H,4-5,7H2,1-3H3

InChIKey

VSLNTSOMNZFWBB-UHFFFAOYSA-N

LogP

3.992200000000002

Topological Polar Surface Area

49.769999999999996 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

372

Synonyms & References

English

  • 2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-hydroxy-, 1,1-dimethylethyl ester
  • 2-Boc-5,7-dichloro-6-hydroxy-1,2,3,4-tetrahydroisoquinoline
  • tert-Butyl 5,7-dichloro-6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
  • SY078735

MDL Number

MFCD28402349

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 5,7-dichloro-6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 851784-76-4)?

2-Methyl-2-propanyl 5,7-dichloro-6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate is a solid with a crystalline form. Its molecular weight is approximately 331.04 g/mol. The compound has low solubility in water but is soluble in organic solvents like ethanol and acetonitrile. It is moderately reactive and can undergo nucleophilic substitution reactions and ester hydrolysis.

How is 2-Methyl-2-proanyl 5,7-dichloro-6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 851784-76-4) typically synthesized?

2-Methyl-2-proanyl 5,7-dichloro-6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate is synthesized via a multi-step process. Commonly, it involves the condensation of 5,7-dichloro-6-hydroxy-2(1H)-isoquinolinecarboxylic acid with 2-methyl-2-propanol, catalyzed by an acid catalyst such as sulfuric acid. The reaction yields a high purity product with good selectivity and high yield.

What industries use 2-Methyl-2-proanyl 5,7-dichloro-6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 851784-76-4)?

2-Methyl-2-proanyl 5,7-dichloro-6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate is used in the pharmaceutical industry for the synthesis of certain drugs. It may also be used in the polymer industry as a reactive monomer, in the semiconductor industry for its photochemical properties, and in sensor technology for its detection capabilities.

What precautions should be taken when handling 2-Methyl-2-proanyl 5,7-dichloro-6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 851784-76-4)?

When handling 2-Methyl-2-proanyl 5,7-dichloro-6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Handle the compound in a well-ventilated area or a fume hood to avoid inhalation of vapors. In case of spill, immediately clean up the area using appropriate absorbent materials and follow the manufacturer’s safety data sheet (SDS) guidelines for further disposal and cleanup procedures.

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