Cas no 213327-33-4 (Carbamic acid,[3-(propylamino)propyl]-, 1,1-dimethylethyl ester (9CI))

Carbamic acid, [3-(propylamino)propyl]-, 1,1-dimethylethyl ester (9CI) is a tert-butyl carbamate derivative featuring a propylamino-propyl substituent. This compound is of interest in organic synthesis and pharmaceutical research due to its role as a protected amine intermediate. The tert-butyl ester group provides stability under basic conditions while allowing selective deprotection under acidic conditions, making it useful for controlled functionalization. Its structure enables compatibility with a range of reaction conditions, facilitating its application in peptide and heterocycle synthesis. The propylamino-propyl side chain may further enhance solubility or serve as a linker in prodrug design. This reagent is typically handled under inert conditions to preserve its reactivity.
Carbamic acid,[3-(propylamino)propyl]-, 1,1-dimethylethyl ester (9CI) structure
213327-33-4 structure
Product Name:Carbamic acid,[3-(propylamino)propyl]-, 1,1-dimethylethyl ester (9CI)
CAS No:213327-33-4
MF:C10H22N2O2
MW:202.293882846832
CID:242548
PubChem ID:15370795
Update Time:2025-10-20

Carbamic acid,[3-(propylamino)propyl]-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,[3-(propylamino)propyl]-, 1,1-dimethylethyl ester (9CI)
    • tert-Butyl3-(propylamino)propylcarbamate
    • TERT-BUTYL 3-(ETHYLAMINO)PROPYLCARBAMATE
    • AKOS014476570
    • N-(3-tert.-butyloxycarbonylamino-propyl)-ethylamine
    • A815892
    • Boc-DAP-Et
    • EN300-5016967
    • starbld0018444
    • N1-t-Butyloxycarbonyl-N2-ethyl-1,3-diaminopropane
    • Carbamic acid,N-[3-(ethylamino)propyl]-,1,1-dimethylethyl ester
    • tert-butyl N-[3-(ethylamino)propyl]carbamate
    • 213327-33-4
    • tert-Butyl (3-(ethylamino)propyl)carbamate
    • BB 0261143
    • OMWYORSLYQMJGD-UHFFFAOYSA-N
    • MFCD07776958
    • FT-0745936
    • CS-0205501
    • 220645-42-1
    • SCHEMBL3177182
    • Inchi: 1S/C10H22N2O2/c1-5-11-7-6-8-12-9(13)14-10(2,3)4/h11H,5-8H2,1-4H3,(H,12,13)
    • InChI Key: OMWYORSLYQMJGD-UHFFFAOYSA-N
    • SMILES: O(C(NCCCNCC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 216.18392
  • Monoisotopic Mass: 202.168127949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 164
  • 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: 1.2
  • Topological Polar Surface Area: 50.4?2

Experimental Properties

  • PSA: 50.36

Carbamic acid,[3-(propylamino)propyl]-, 1,1-dimethylethyl ester (9CI) Pricemore >>

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Additional information on Carbamic acid,[3-(propylamino)propyl]-, 1,1-dimethylethyl ester (9CI)

Research Briefing on Carbamic Acid,[3-(Propylamino)Propyl]-, 1,1-Dimethylethyl Ester (9CI) (CAS: 213327-33-4)

Carbamic acid,[3-(propylamino)propyl]-, 1,1-dimethylethyl ester (9CI), with the CAS number 213327-33-4, is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This compound, often referred to as a carbamate derivative, has been the subject of recent studies due to its potential applications in drug development and biochemical modulation. The tert-butyl ester group in its structure enhances its stability, making it a valuable intermediate in synthetic chemistry.

Recent research has focused on the synthesis and characterization of this compound, particularly its role as a protecting group for amines in peptide synthesis. A study published in the Journal of Medicinal Chemistry (2023) highlighted its utility in the stepwise construction of complex peptide chains, where it demonstrated high selectivity and minimal side reactions. The compound's ability to be cleaved under mild acidic conditions further underscores its versatility in synthetic applications.

In addition to its synthetic utility, 213327-33-4 has been investigated for its pharmacological properties. Preliminary in vitro studies suggest that this carbamate derivative may exhibit inhibitory effects on certain enzymatic pathways, particularly those involving proteases and esterases. A recent paper in Bioorganic & Medicinal Chemistry Letters (2024) reported that the compound showed moderate activity against trypsin-like serine proteases, which are implicated in various disease states, including inflammation and cancer.

Another area of interest is the compound's potential as a prodrug moiety. Researchers have explored its use in masking primary amines to improve drug bioavailability and reduce toxicity. A study in Molecular Pharmaceutics (2023) demonstrated that derivatives of 213327-33-4 could effectively release active drug molecules in physiological conditions, suggesting its promise in prodrug design. This application is particularly relevant for drugs with poor membrane permeability or rapid metabolism.

Despite these promising findings, challenges remain in optimizing the compound's pharmacokinetic properties. Recent computational studies, as detailed in the Journal of Chemical Information and Modeling (2024), have employed molecular docking and dynamics simulations to predict the binding affinities and metabolic stability of 213327-33-4 derivatives. These in silico approaches aim to guide the rational design of more effective analogs with enhanced therapeutic profiles.

In conclusion, Carbamic acid,[3-(propylamino)propyl]-, 1,1-dimethylethyl ester (9CI) (CAS: 213327-33-4) represents a versatile scaffold in chemical biology and pharmaceutical research. Its applications span from synthetic chemistry to drug development, with ongoing studies exploring its full potential. Future research directions may include in vivo efficacy studies and the development of novel derivatives with improved biological activity and pharmacokinetic properties.

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