Cas no 187399-72-0 (O-(2,2-dimethylpropyl)hydroxylamine hydrochloride)

O-(2,2-dimethylpropyl)hydroxylamine hydrochloride is a specialized organic compound used primarily as a reagent in synthetic chemistry. Its key advantages include its stability as a hydrochloride salt, which facilitates handling and storage, and its utility as a hydroxylamine derivative in nucleophilic reactions. The tert-butyl-like (2,2-dimethylpropyl) group enhances steric hindrance, making it valuable for selective transformations, such as the synthesis of oximes or nitrones. The compound is particularly useful in pharmaceutical and agrochemical research, where controlled functionalization of carbonyl compounds is required. Its well-defined reactivity and compatibility with various solvents further contribute to its applicability in complex synthetic pathways.
O-(2,2-dimethylpropyl)hydroxylamine hydrochloride structure
187399-72-0 structure
Product Name:O-(2,2-dimethylpropyl)hydroxylamine hydrochloride
CAS No:187399-72-0
MF:C5H14ClNO
MW:139.623760700226
CID:115025
PubChem ID:23103182
Update Time:2025-11-06

O-(2,2-dimethylpropyl)hydroxylamine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Hydroxylamine,O-(2,2-dimethylpropyl)-, hydrochloride (1:1)
    • 2,2-DiMethyl-1-propanoxyaMine HCL
    • 2,2-DIMETHYL-1-PROPANOXYAMINE HYDROCHLORIDE
    • o-(2,2-diMethylpropyl)hydroxylaMine hydrochloride
    • SY149479
    • O-(2,2-dimethylpropyl)hydroxylamine;hydrochloride
    • CS-0308725
    • MFCD09880037
    • 2,2-DIMETHYL-1-PROPANOXYAMINEHYDROCHLORIDE
    • AKOS006311730
    • SCHEMBL1715803
    • 187399-72-0
    • AT14507
    • O-(2,2-Dimethylpropyl)hydroxylamine--hydrogen chloride (1/1)
    • EN300-129194
    • O-neopentylhydroxylamine Hydrochloride
    • DTXSID20630580
    • O-(2,2-dimethylpropyl)hydroxylamine hydrochloride
    • Inchi: 1S/C5H13NO.ClH/c1-5(2,3)4-7-6;/h4,6H2,1-3H3;1H
    • InChI Key: NNOXCPGCDWRACS-UHFFFAOYSA-N
    • SMILES: Cl.O(CC(C)(C)C)N

Computed Properties

  • Exact Mass: 139.07652
  • Monoisotopic Mass: 139.0763918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 46.5
  • 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: 35.2?2

Experimental Properties

  • PSA: 35.25

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Additional information on O-(2,2-dimethylpropyl)hydroxylamine hydrochloride

O-(2,2-Dimethylpropyl)Hydroxylamine Hydrochloride: A Comprehensive Overview

O-(2,2-Dimethylpropyl)Hydroxylamine Hydrochloride (CAS No. 187399-72-0) is a versatile organic compound that has garnered significant attention in various fields due to its unique chemical properties and potential applications. This compound, often referred to as hydroxylamine derivative, belongs to the broader category of amino alcohols and is widely utilized in pharmaceuticals, agrochemicals, and specialty chemicals. Recent advancements in synthetic chemistry have further expanded its utility, making it a focal point for researchers and industry professionals alike.

The molecular structure of O-(2,2-Dimethylpropyl)Hydroxylamine Hydrochloride comprises a hydroxylamine group (-NH-OH) attached to a 2,2-dimethylpropyl chain. This structure imparts unique reactivity and stability to the compound. The hydroxylamine group is known for its ability to act as both a nucleophile and a reducing agent, making it valuable in various chemical transformations. The 2,2-dimethylpropyl substituent enhances the compound's lipophilicity, which is advantageous in drug design and formulation.

Recent studies have highlighted the role of O-(2,2-Dimethylpropyl)Hydroxylamine Hydrochloride in the synthesis of bioactive molecules. For instance, researchers have employed this compound as an intermediate in the production of antidepressants and anti-inflammatory agents. Its ability to participate in reductive amination reactions has been particularly beneficial in constructing complex molecular frameworks with high precision.

In the agricultural sector, this compound has found applications as an intermediate in the synthesis of herbicides and fungicides. Its stability under various environmental conditions makes it suitable for use in agrochemical formulations. Moreover, advancements in green chemistry have led to the development of more sustainable methods for synthesizing O-(2,2-Dimethylpropyl)Hydroxylamine Hydrochloride, reducing its environmental footprint.

The synthesis of O-(2,2-Dimethylpropyl)Hydroxylamine Hydrochloride typically involves multi-step processes that include nucleophilic substitution and reduction reactions. Recent innovations in catalytic methods have improved the efficiency and selectivity of these reactions, leading to higher yields and purer products. For example, the use of transition metal catalysts has enabled more controlled transformations, minimizing byproduct formation.

From a safety standpoint, proper handling and storage of O-(2,2-Dimethylpropyl)Hydroxylamine Hydrochloride are essential to ensure workplace safety. It is recommended to store this compound in a cool, dry place away from incompatible materials. Handling should be done with appropriate personal protective equipment (PPE), including gloves and goggles.

In conclusion, O-(2,2-Dimethylpropyl)Hydroxylamine Hydrochloride (CAS No. 187399-72-0) is a multifaceted compound with wide-ranging applications across diverse industries. Its unique chemical properties and adaptability make it an invaluable tool for researchers and manufacturers alike. As advancements in synthetic chemistry continue to unfold, the potential for new applications of this compound remains vast and promising.

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