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CS-W001157 4
Total: USD 88.00

tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

  • CAS No. 937048-76-5

  • Cat. No. CS-W000580
  • Purity≥95%
  • MDL No.MFCD11044674

*For research and further manufacturing use only, not for direct human use.

tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-W000580

Structure of 937048-76-5

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General Information

  • CAS No. 937048-76-5
  • Cat. No. CS-W000580
  • Purity ≥95%
  • MDL No. MFCD11044674
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₃₀BNO₄
  • Molecular Weight 359.27
  • Synonym(s) 2(1H)-ISOQUINOLINECARBOXYLIC ACID, 3,4-DIHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
  • SMILES CC(C)(OC(N1CCC2=CC=C(B3OC(C)(C(C)(O3)C)C)C=C2C1)=O)C

Description

tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is a bench-stable boronate ester that integrates seamlessly into Suzuki-Miyaura cross-coupling reactions. This molecule features a protected dihydroisoquinoline core flanked by a sterically hindered tetramethylboronate group, enabling selective coupling under mild conditions with high functional group tolerance.

Application

tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate serves as a versatile boron-containing building block for Suzuki-Miyaura cross-coupling reactions. The dihydroisoquinoline core provides a privileged scaffold in medicinal chemistry, while the pinacol boronate group enables efficient, mild coupling with aryl and vinyl halides. Its bench-stable nature, compatibility with diverse functional groups, and straightforward purification make it ideal for iterative synthesis of complex heterocyclic architectures.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   48
  • LogP   3.279
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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