Cas no 65057-34-3 (Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate)

Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate structure
65057-34-3 structure
Product Name:Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate
CAS No:65057-34-3
MF:C30H46N4O6S
MW:590.774446964264
MDL:MFCD00039005
CID:515677
PubChem ID:6455009
Update Time:2025-07-11

Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate Chemical and Physical Properties

Names and Identifiers

    • Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate
    • Boc-His(Toc)-OH.DCHA
    • Boc-His(Toc)-OH·DCHA
    • BOC-HIS(TOS)-OH?DCHA
    • Boc-L-His(Tos)-OH*DCHA
    • Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate
    • N-Alpha-T-Butyloxycarbonyl-N-Im-T-Tosyl-L-Histidine Dicyclohexylamine
    • N-cyclohexylcyclohexanamine
    • (2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-(tert-butoxyca...
    • (2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-(tert-butoxycarbonylamino)propanoic acid
    • 15507_ALDRICH
    • 15507_FLUKA
    • AC1O5ALA
    • AG-G-44410
    • Boc-His(Tos)-OH dicyclohexylamine salt
    • compound with dicyclohexylamine (1:1)
    • CTK2F6671
    • dicyclohexylammpnoim salt of N-(tert-butoxycarbonyl)-Nim-tosyl-L-histidine
    • EINECS 265-328-0
    • N-(tert-butoxycarbonyl)-1-(p-tosyl)-L-histidine
    • n-alfa-boc-n-im-tosyl-l-histidine dicyclohexylamine
    • AS-49155
    • Boc-his(tos)-oh dcha
    • N-cyclohexylcyclohexanamine;(2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
    • NS00055496
    • dicyclohexylamine (S)-2-(tert-butoxycarbonylamino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate
    • CS-0454565
    • N-Boc-1-(p-toluenesulfonyl)-L-histidine dicyclohexylammonium salt
    • Boc-His(Tos)-OH.DCHA
    • N-alpha-t-Butyloxycarbonyl-N-im-t-tosyl-L-histidine dicyclohexylamine (Boc-L-His(Tos)-OH.DCHA)
    • N-(tert-Butoxycarbonyl)-1-(p-tosyl)-L-histidine, compound with dicyclohexylamine (1:1)
    • 65057-34-3
    • L-Histidine, N-((1,1-dimethylethoxy)carbonyl)-1-((4-methylphenyl)sulfonyl)-, compd with N-cyclohexylcyclohexanamine (1:1)
    • FD21669
    • DTXSID70215381
    • MFCD00039005
    • AKOS016010084
    • MDL: MFCD00039005
    • Inchi: 1S/C18H23N3O6S.C12H23N/c1-12-5-7-14(8-6-12)28(25,26)21-10-13(19-11-21)9-15(16(22)23)20-17(24)27-18(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,10-11,15H,9H2,1-4H3,(H,20,24)(H,22,23);11-13H,1-10H2/t15-;/m0./s1
    • InChI Key: RNRUVXUHYUOWJW-RSAXXLAASA-N
    • SMILES: S(C1C=CC(C)=CC=1)(N1C=NC(=C1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)(=O)=O.N(C1CCCCC1)C1CCCCC1

Computed Properties

  • Exact Mass: 590.31408
  • Monoisotopic Mass: 590.31380637g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 11
  • Complexity: 778
  • 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: 148?2

Experimental Properties

  • Melting Point: ~165?°C (dec.)
  • PSA: 139.62

Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate Security Information

  • WGK Germany:3
  • FLUKA BRAND F CODES:10-21

Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate Pricemore >>

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Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate Related Literature

Additional information on Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate

Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate: A Comprehensive Overview

The compound with CAS No. 65057-34-3, known as Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate, is a complex organic molecule with significant applications in the field of organic chemistry and pharmaceutical research. This compound is characterized by its intricate structure, which includes a dicyclohexylamine moiety, a tert-butoxycarbonyl (Boc) group, and a tosylated imidazole ring. These structural elements contribute to its unique chemical properties and make it a valuable tool in modern synthetic chemistry.

Recent studies have highlighted the importance of this compound in the synthesis of bioactive molecules. The Boc group is widely used as a protecting group for amino acids during peptide synthesis, ensuring stability and selectivity in reactions. Similarly, the tosylated imidazole ring enhances the molecule's reactivity, making it suitable for various coupling reactions. Researchers have utilized this compound to develop novel therapeutic agents targeting various diseases, including cancer and inflammatory conditions.

The synthesis of Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate involves a multi-step process that combines advanced organic chemistry techniques. The key steps include the formation of the imidazole ring, tosylation to introduce the leaving group, and subsequent coupling reactions to assemble the final product. These steps require precise control over reaction conditions to ensure high yields and purity.

In terms of applications, this compound has been extensively studied for its role in peptide synthesis. The Boc group provides excellent protection during peptide bond formation, while the tosylated imidazole ring facilitates efficient coupling reactions. Recent research has also explored its use in the synthesis of macrocyclic compounds and bioconjugates, further expanding its versatility in chemical synthesis.

Moreover, the stereochemistry of this compound plays a critical role in its biological activity. The (S) configuration at the chiral center ensures proper molecular recognition and binding affinity with target proteins. This makes it an ideal candidate for enantioselective synthesis and drug discovery programs.

Looking ahead, ongoing research is focused on optimizing the synthesis of this compound to improve scalability and reduce costs. Additionally, investigations into its biodegradability and environmental impact are being conducted to ensure sustainable practices in chemical manufacturing.

In conclusion, Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-3-(1-tosyl-1H-imidazol-4-yl)propanoate is a versatile and valuable compound in modern organic chemistry. Its unique structure, combined with recent advancements in synthetic methodologies, positions it as a key player in the development of innovative therapeutic agents and materials.

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