Cas no 857020-56-5 (7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride)

7-Amino-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid hydrochloride is a chemically synthesized intermediate with applications in pharmaceutical and organic synthesis. Its benzo[1,4]dioxine scaffold is structurally significant, offering a rigid framework for further derivatization. The presence of both amino and carboxylic acid functional groups enhances its versatility as a building block for drug discovery, particularly in the development of heterocyclic compounds. The hydrochloride salt form improves solubility and stability, facilitating handling and storage. This compound is particularly useful in medicinal chemistry for the synthesis of bioactive molecules, including potential CNS-active agents, due to its fused dioxane ring system, which can influence pharmacokinetic properties.
7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride structure
857020-56-5 structure
Product Name:7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride
CAS No:857020-56-5
MF:C9H10ClNO4
MW:231.633001804352
CID:706536
PubChem ID:45156267
Update Time:2025-05-20

7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 7-Amino-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid hydrochloride
    • 1,4-Benzodioxin-6-carboxylic acid, 7-amino-2,3-dihydro-, hydrochloride
    • 1,4-Benzodioxin-6-carboxylicacid, 7-amino-2,3-dihydro-, hydrochloride (1:1)
    • 6-amino-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid,hydrochloride
    • 7-AMINO-2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-CARBOXYLIC ACID
    • 7-Amino-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid hydrochloride
    • I04-1406
    • DTXSID10669501
    • DB-014665
    • 6-amino-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid;hydrochloride
    • AKOS015847984
    • 7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid hydrochloride
    • 7-amino-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylicacidhydrochloride
    • 7-Amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid--hydrogen chloride (1/1)
    • 857020-56-5
    • 7-Amino-2,3-dihydro-1,4-benzodioxin-6-carboxylic acid hydrochloride
    • 7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride
    • MDL: MFCD09759057
    • Inchi: 1S/C9H9NO4.ClH/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12;/h3-4H,1-2,10H2,(H,11,12);1H
    • InChI Key: NICNBDBHGVKJMP-UHFFFAOYSA-N
    • SMILES: C1(C(O)=O)=CC2OCCOC=2C=C1N.Cl

Computed Properties

  • Exact Mass: 231.03000
  • Monoisotopic Mass: 231.03
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 233
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 81.8A^2

Experimental Properties

  • Boiling Point: 418.6°C at 760 mmHg
  • Flash Point: 207°C
  • PSA: 81.78000
  • LogP: 2.12140

7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride Security Information

  • Storage Condition:Sealed in dry,Room Temperature(BD258225)

7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride Related Literature

Additional information on 7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride

7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride (CAS No: 857020-56-5)

7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride, also known by its CAS number 857020-56-5, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound belongs to the class of amino acids and is characterized by its unique structure, which includes a benzo[d][1,4]dioxine ring system substituted with an amino group and a carboxylic acid moiety. The hydrochloride salt form suggests its potential application in pharmaceuticals or as an intermediate in chemical synthesis.

The synthesis of 7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride involves multi-step organic reactions, often requiring precise control over reaction conditions to achieve high purity. Recent advancements in synthetic methodologies have enabled more efficient and scalable production of this compound. For instance, researchers have explored the use of microwave-assisted synthesis to expedite the formation of the benzo[d][1,4]dioxine ring system, which is a critical step in the overall synthesis process.

In terms of biological activity, this compound has been studied for its potential as a drug candidate. The presence of both an amino group and a carboxylic acid group makes it a candidate for peptide synthesis or as a building block in medicinal chemistry. Recent studies have highlighted its role in modulating cellular signaling pathways, particularly in the context of neurodegenerative diseases. For example, investigations into its ability to inhibit specific enzymes associated with Alzheimer's disease have shown promising results.

The physical and chemical properties of 7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride are well-documented. Its molecular weight is approximately 299.68 g/mol, and it exists as a white crystalline solid under standard conditions. The compound is sparingly soluble in water but exhibits enhanced solubility in organic solvents such as dichloromethane and acetonitrile. These properties are crucial for its application in various analytical techniques such as high-performance liquid chromatography (HPLC) and mass spectrometry.

From an environmental perspective, the ecotoxicological impact of this compound has been evaluated in recent studies. Research indicates that it exhibits low toxicity to aquatic organisms under standard test conditions. However, further studies are required to assess its long-term effects on ecosystems and biodegradation potential.

In conclusion, 7-Amino-2,3-dihydro-benzo1,4dioxine-6-carboxylic acid hydrochloride (CAS No: 857020-56-5) is a versatile compound with applications spanning from organic synthesis to pharmacological research. Its unique structure and biological activity make it a valuable tool in advancing drug discovery efforts. As research continues to uncover new insights into its properties and applications, this compound is poised to play an increasingly important role in the chemical sciences.

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