Cas no 1213956-50-3 ((1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)propan-1-amine)

(1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)propan-1-amine is a chiral amine compound featuring a 2,2-difluorobenzodioxole moiety, which imparts unique electronic and steric properties. Its stereospecific (S)-configuration ensures high enantiopurity, making it valuable for asymmetric synthesis and pharmaceutical applications. The difluorinated benzodioxole group enhances metabolic stability and lipophilicity, improving bioavailability in drug development. This compound serves as a versatile intermediate in the synthesis of bioactive molecules, particularly in CNS-targeting agents due to its ability to cross the blood-brain barrier. Its rigid aromatic system and fluorine substitution contribute to strong binding affinity in receptor-ligand interactions. Suitable for use under controlled conditions, it requires handling in inert atmospheres due to its amine functionality.
(1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)propan-1-amine structure
1213956-50-3 structure
Product Name:(1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)propan-1-amine
CAS No:1213956-50-3
MF:C10H11F2NO2
MW:215.19664978981
CID:5018184
Update Time:2025-05-20

(1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • (S)-1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-4-YL)PROPAN-1-AMINE
    • (1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)propan-1-amine
    • Inchi: 1S/C10H11F2NO2/c1-2-7(13)6-4-3-5-8-9(6)15-10(11,12)14-8/h3-5,7H,2,13H2,1H3/t7-/m0/s1
    • InChI Key: ISJFILCRQRVAHY-ZETCQYMHSA-N
    • SMILES: FC1(OC2=CC=CC(=C2O1)[C@H](CC)N)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 238
  • XLogP3: 2.3
  • Topological Polar Surface Area: 44.5

(1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)propan-1-amine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1761833-1g
(s)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)propan-1-amine
1213956-50-3 98%
1g
¥9398.00 2024-08-09
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