Cas no 56951-66-7 (tert-butyl(2-methylpropyl)amine)

tert-butyl(2-methylpropyl)amine structure
56951-66-7 structure
Product Name:tert-butyl(2-methylpropyl)amine
CAS No:56951-66-7
MF:C8H19N
MW:129.24316239357
CID:4042028
PubChem ID:527145
Update Time:2025-04-24

tert-butyl(2-methylpropyl)amine Chemical and Physical Properties

Names and Identifiers

    • 1-Propanamine, N-(1,1-dimethylethyl)-2-methyl-
    • tert-butyl(2-methylpropyl)amine
    • 56951-66-7
    • isobutyl-t-butylamine
    • starbld0016170
    • STK512817
    • N-(tert-Butyl)-2-methylpropan-1-amine
    • F8882-0030
    • 1-Propanamine, 2-methyl, N-(1,1-dimethylethyl)
    • N-tert-butyl-2-methylpropan-1-amine
    • AKOS000128647
    • tert-Butylisobutylamine
    • SCHEMBL270919
    • Inchi: 1S/C8H19N/c1-7(2)6-9-8(3,4)5/h7,9H,6H2,1-5H3
    • InChI Key: KVYFSZGMVJSHDS-UHFFFAOYSA-N
    • SMILES: C(NC(C)(C)C)C(C)C

Computed Properties

  • Exact Mass: 129.151749610Da
  • Monoisotopic Mass: 129.151749610Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 69.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 12?2

tert-butyl(2-methylpropyl)amine Pricemore >>

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Additional information on tert-butyl(2-methylpropyl)amine

Introduction to 1-Propanamine, N-(1,1-dimethylethyl)-2-methyl- (CAS No. 56951-66-7)

The compound 1-Propanamine, N-(1,1-dimethylethyl)-2-methyl-, identified by its Chemical Abstracts Service (CAS) number 56951-66-7, is a specialized organic molecule with significant applications in the field of pharmaceuticals and chemical synthesis. This aliphatic amine derivative is characterized by its unique structural features, which include a primary amine functional group, a tertiary butyl substituent, and a secondary methyl group on the propyl chain. Such structural attributes make it a versatile intermediate in the development of various chemical entities.

Structurally, 1-Propanamine, N-(1,1-dimethylethyl)-2-methyl- can be represented as (CH?)?CHCH?NH(CH?)C(CH?)?. The presence of the tertiary butyl group (C(CH?)?) provides steric hindrance, influencing its reactivity and solubility properties. This compound is particularly notable for its role in synthesizing more complex molecules, including pharmaceutical intermediates and specialty chemicals. Its stability under various conditions and compatibility with a range of reaction methodologies make it a valuable building block in synthetic chemistry.

In recent years, the demand for high-purity chemical intermediates has surged due to advancements in drug discovery and development. 1-Propanamine, N-(1,1-dimethylethyl)-2-methyl- has emerged as a key component in the synthesis of bioactive molecules. For instance, it has been utilized in the preparation of novel heterocyclic compounds that exhibit potential therapeutic effects. Researchers have explored its utility in constructing scaffolds for kinase inhibitors and other small-molecule drugs targeting specific biological pathways. The compound's ability to undergo nucleophilic substitution reactions makes it particularly useful in forming carbon-nitrogen bonds, which are essential in drug molecule construction.

The pharmaceutical industry has shown increasing interest in optimizing synthetic routes to improve yield and reduce costs. 1-Propanamine, N-(1,1-dimethylethyl)-2-methyl- has been integrated into multi-step syntheses where its structural features enhance reaction efficiency. For example, it serves as a precursor in the preparation of chiral auxiliaries used in asymmetric synthesis, enabling the production of enantiomerically pure compounds crucial for many therapeutic applications. The compound's compatibility with transition metal catalysis has also been leveraged to develop more efficient cross-coupling reactions.

From an industrial perspective, the production of 1-Propanamine, N-(1,1-dimethylethyl)-2-methyl- requires precise control over reaction conditions to ensure high purity and yield. Advances in catalytic processes have enabled more sustainable methods for its synthesis, reducing waste and energy consumption. These innovations align with global efforts to promote green chemistry principles. The compound's role in synthesizing active pharmaceutical ingredients (APIs) underscores its importance in modern medicine.

Recent studies have highlighted the compound's potential beyond pharmaceuticals. In materials science, derivatives of 1-Propanamine, N-(1,1-dimethylethyl)-2-methyl- have been investigated for their properties as monomers or additives in polymer formulations. The incorporation of this amine into polymer matrices can enhance thermal stability and mechanical strength. Additionally, its reactivity with functionalized surfaces has been explored for applications in coatings and adhesives.

The regulatory landscape for chemical intermediates like 1-Propanamine, N-(1,1-dimethylethyl)-2-methyl- is governed by agencies such as the U.S. Food and Drug Administration (FDA) and the European Chemicals Agency (ECHA). Compliance with safety standards ensures that its use remains safe for intended applications. Manufacturers must adhere to stringent quality control measures to meet these regulatory requirements.

In conclusion, 1-Propanamine,N-( 1 , 1 - dimethylethyl ) - 2 - methyl - ( CAS No . 56951 - 66 - 7 ) is a multifaceted compound with broad utility across pharmaceuticals , chemical synthesis , and materials science . Its unique structural features make it an indispensable intermediate in modern chemistry . As research continues to uncover new applications , this compound is poised to play an even greater role in advancing scientific and industrial progress .

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