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(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methanamine

  • CAS No. 135132-35-3

  • Cat. No. CS-0155738
  • Purity≥97%
  • MDL No.MFCD06212945

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

(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methanamine|CS-0155738

Structure of 135132-35-3

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General Information

  • CAS No. 135132-35-3
  • Cat. No. CS-0155738
  • Purity ≥97%
  • MDL No. MFCD06212945
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇F₂NO₂
  • Molecular Weight 187.14
  • Synonym(s) C-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YL)-METHYLAMINE
  • SMILES C1=CC2=C(C=C1CN)OC(F)(F)O2

Description

This difluorobenzodioxole-based amine integrates a strategically positioned methanamine group, enabling efficient coupling in synthetic workflows. The electron-deficient aromatic core enhances reactivity in cross-coupling and conjugation reactions. Bench-stable and moisture-tolerant, it serves as a key building block for bioactive molecules and functional materials.

Application

(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methanamine serves as a versatile building block for medicinal chemistry and agrochemical research, enabling the introduction of a polar, electron-deficient aromatic amine moiety with enhanced metabolic stability. Its difluorinated benzodioxole core provides improved lipophilicity and resistance to oxidative metabolism, while the primary amine facilitates straightforward derivatization via amidation, alkylation, or reductive amination. The compound exhibits good bench stability and is readily purified by standard chromatographic methods, making it well-suited for high-throughput synthesis and API development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H312-H314-H332
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   44.48
  • LogP   1.4668
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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