Cas no 1213650-06-6 ((1S)-2-methyl-1-(4-methylphenyl)propan-1-amine)

(1S)-2-Methyl-1-(4-methylphenyl)propan-1-amine is a chiral amine compound characterized by its stereospecific (S)-configuration and aromatic methyl substitution. This structurally distinct molecule is of interest in pharmaceutical and fine chemical synthesis due to its potential as a building block for active pharmaceutical ingredients (APIs) or chiral auxiliaries. The presence of both an amine functionality and a para-methylphenyl group enhances its utility in asymmetric synthesis, enabling precise control over stereochemistry in target molecules. Its defined chirality and rigid aromatic backbone may contribute to improved selectivity in catalytic or stoichiometric reactions. The compound's stability under standard conditions facilitates handling and storage, while its purity profile meets typical requirements for research and development applications.
(1S)-2-methyl-1-(4-methylphenyl)propan-1-amine structure
1213650-06-6 structure
Product Name:(1S)-2-methyl-1-(4-methylphenyl)propan-1-amine
CAS No:1213650-06-6
MF:C11H18ClN
MW:199.720322132111
MDL:MFCD12757116
CID:1030321
PubChem ID:53484747
Update Time:2025-08-05

(1S)-2-methyl-1-(4-methylphenyl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • (S)-2-Methyl-1-(p-tolyl)propan-1-amine hydrochloride
    • (1S)-2-methyl-1-(4-methylphenyl)propan-1-amine,hydrochloride
    • (1S)-2-METHYL-1-(4-METHYLPHENYL)PROPAN-1-AMINE HYDROCHLORIDE
    • 1391437-15-2
    • CS-0196743
    • (1S)-2-methyl-1-(4-methylphenyl)propan-1-amine;hydrochloride
    • AKOS015923083
    • (1s)-2-methyl-1-(4-methylphenyl)propylamine hydrochloride
    • (S)-2-METHYL-1-(P-TOLYL)PROPAN-1-AMINE HCL
    • MFCD12757116
    • DS-4739
    • (S)-2-Methyl-1-(p-tolyl)propan-1-aminehydrochloride
    • (1S)-2-Methyl-1-(4-methylphenyl)propan-1-amine--hydrogen chloride (1/1)
    • 1213650-06-6
    • DTXSID90704186
    • Y11242
    • (1S)-2-methyl-1-(4-methylphenyl)propan-1-amine
    • MDL: MFCD12757116
    • Inchi: 1S/C11H17N.ClH/c1-8(2)11(12)10-6-4-9(3)5-7-10;/h4-8,11H,12H2,1-3H3;1H/t11-;/m0./s1
    • InChI Key: QQAYCEWJQMBYRH-MERQFXBCSA-N
    • SMILES: Cl.N[C@H](C1C=CC(C)=CC=1)C(C)C

Computed Properties

  • Exact Mass: 199.1127773g/mol
  • Monoisotopic Mass: 199.1127773g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 123
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26?2

(1S)-2-methyl-1-(4-methylphenyl)propan-1-amine Pricemore >>

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Additional information on (1S)-2-methyl-1-(4-methylphenyl)propan-1-amine

Introduction to (1S)-2-methyl-1-(4-methylphenyl)propan-1-amine (CAS No: 1213650-06-6)

(1S)-2-methyl-1-(4-methylphenyl)propan-1-amine, also known by its CAS number 1213650-06-6, is a significant compound in the field of organic chemistry and pharmacology. This compound has garnered attention due to its unique structural properties and potential applications in drug development and chemical synthesis.

The molecular structure of (1S)-2-methyl-1-(4-methylphenyl)propan-1-amine consists of a chiral center at the first carbon atom, which is attached to a methyl group, a phenyl ring substituted with a methyl group at the para position, and an amine group. This configuration imparts specific stereochemical properties, making it a valuable molecule for studying enantioselective reactions and asymmetric synthesis.

Recent advancements in chiral catalysis have highlighted the importance of compounds like (1S)-2-methyl-1-(4-methylphenyl)propan-1-amine in the development of enantioenriched pharmaceuticals. Researchers have explored its role as a chiral auxiliary in organic synthesis, enabling the construction of complex molecular architectures with high enantioselectivity.

In addition to its synthetic applications, this compound has been studied for its potential pharmacological activities. Preclinical studies suggest that it may exhibit modulatory effects on certain biological pathways, making it a candidate for further investigation in drug discovery programs.

The synthesis of (1S)-2-methyl-1-(4-methylphenyl)propan-1-amine typically involves multi-step processes, including alkylation, reduction, and stereochemical control techniques. The use of advanced catalysts and reaction conditions has improved the yield and enantiomeric purity of this compound, facilitating its application in various research settings.

Moreover, computational chemistry approaches have been employed to study the electronic properties and reactivity of this compound. These studies provide insights into its interaction with biological targets and guide the design of more potent and selective derivatives.

In conclusion, (1S)-2-methyl-1-(4-methylphenyl)propan-1-amine (CAS No: 1213650-06-6) is a versatile compound with promising applications in organic synthesis and pharmacology. Continued research into its properties will undoubtedly contribute to the advancement of chemical science and therapeutic development.

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