Cas no 1170108-38-9 (tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride)

Tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride is a protected amine derivative widely used in organic synthesis and pharmaceutical research. The tert-butyloxycarbonyl (Boc) group serves as a robust protecting group for the primary amine, enhancing stability during synthetic transformations. The azetidine ring contributes to conformational rigidity, making it valuable in medicinal chemistry for designing bioactive molecules. The hydrochloride salt form improves solubility and handling. This compound is particularly useful in peptide coupling reactions and as a building block for small-molecule drug development. Its well-defined reactivity and compatibility with diverse reaction conditions make it a reliable intermediate for constructing complex nitrogen-containing frameworks.
tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride structure
1170108-38-9 structure
Product Name:tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride
CAS No:1170108-38-9
MF:C9H19ClN2O2
MW:222.712361574173
MDL:MFCD08752583
CID:836398
PubChem ID:44118838
Update Time:2025-05-20

tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl (azetidin-3-ylmethyl)carbamate hydrochloride
    • tert-Butyl [(azetidin-3-yl)methyl]carbamate HCl
    • 3-(Boc-aminomethyl)azetidine hydrochloride
    • 3-(BOC-AMINOMETHYL)AZETIDINE-HCl
    • 3-Boc-Aminomethyl-Azetidine Hydrochloride
    • 4-(NITROOXY)BUTAN-1-OL
    • tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride
    • 3-BOC-AMINOmethylazetidinE hydrochloride
    • tert-butyl azetidin-3-ylmethylcarbamate hydrochloride
    • 3-(BOC-AMINOMETHYL)-AZETIDINE HCL
    • Azetidin-3-ylmethyl-carbamic acid tert-butyl ester hydrochloride
    • KSC915C0F
    • FLSTVGQJEDAWCH-UHFFFAOYSA-N
    • SC3271
    • OR2249
    • 3-(N-Bo
    • MFCD08752583
    • 3-(N-Boc-Aminomethyl)azetidine HCl
    • tert-Butyl(azetidin-3-ylmethyl)carbamatehydrochloride
    • SCHEMBL14763705
    • SB10072
    • 1170108-38-9
    • AKOS005259819
    • SY019237
    • tert-butyl azetidine-3-ylmethylcarbamate HCl
    • 3-(N-Boc-aminomethyl)azetidine hydrochloride
    • DB-361575
    • AC-25736
    • 3-(Aminomethyl)azetidine hydrochloride, 3-BOC protected
    • DTXSID80657016
    • Carbamic acid, N-(3-azetidinylmethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
    • EN300-140072
    • tert-Butyl [(azetidin-3-yl)methyl]carbamate--hydrogen chloride (1/1)
    • tert-butyl N-[(azetidin-3-yl)methyl]carbamate hydrochloride
    • CS-W019245
    • DS-16303
    • 3-Boc-Aminomethyl Azetidine HCl
    • tert-butyl N-(azetidin-3-ylmethyl)carbamate;hydrochloride
    • MDL: MFCD08752583
    • Inchi: 1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-6-7-4-10-5-7;/h7,10H,4-6H2,1-3H3,(H,11,12);1H
    • InChI Key: FLSTVGQJEDAWCH-UHFFFAOYSA-N
    • SMILES: Cl.O(C(NCC1CNC1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 222.11367
  • Monoisotopic Mass: 222.1135055g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 183
  • 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: 50.4

Experimental Properties

  • Color/Form: White to Yellow Solid
  • PSA: 50.36

tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride Security Information

tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride Pricemore >>

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Additional information on tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride

Introduction to Tert-butyl N-(azetidin-3-ylmethyl)carbamate Hydrochloride (CAS No. 1170108-38-9)

Tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride, with the CAS number 1170108-38-9, is a significant compound in the field of pharmaceutical chemistry. This compound has garnered attention due to its unique structural properties and potential applications in drug development. The azetidin-3-ylmethyl moiety, a key feature of this molecule, contributes to its versatility and reactivity, making it a valuable intermediate in synthetic chemistry.

The hydrochloride salt form of this compound enhances its solubility in aqueous solutions, which is a critical factor for pharmaceutical formulations. This solubility profile makes it particularly useful in the development of oral and injectable medications. The tert-butyl group, on the other hand, provides steric hindrance, which can influence the compound's metabolic stability and bioavailability.

In recent years, there has been a growing interest in heterocyclic compounds for their role in medicinal chemistry. Azetidine derivatives, such as the one present in this compound, have shown promise in various therapeutic areas. For instance, studies have indicated that azetidine-based molecules can exhibit antimicrobial and anti-inflammatory properties. This has led to extensive research into their potential as lead compounds for new drugs.

The synthesis of Tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride involves multi-step organic reactions that require precise control over reaction conditions. The introduction of the carbamate group and subsequent hydrochlorination are critical steps that determine the final properties of the compound. Advanced synthetic techniques, such as catalytic hydrogenation and nucleophilic substitution, are often employed to achieve high yields and purity.

One of the most compelling aspects of this compound is its potential in drug discovery. The structural framework of Tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride allows for modifications that can tailor its biological activity. Researchers have been exploring its use as a scaffold for designing novel therapeutic agents. For example, modifications at the azetidine ring can lead to compounds with enhanced binding affinity to specific biological targets.

The pharmaceutical industry has been particularly interested in compounds that can modulate enzyme activity. Enzymes are crucial targets for many drugs, and understanding their mechanisms can lead to the development of more effective treatments. Tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride has shown potential in inhibiting certain enzymes by occupying their active sites. This has sparked interest in its use as an inhibitor for diseases related to enzyme dysregulation.

In addition to its enzymatic activities, this compound has also been investigated for its role in cell signaling pathways. Cell signaling is essential for maintaining homeostasis and responding to environmental changes. By modulating these pathways, drugs can exert therapeutic effects on various diseases. Preliminary studies suggest that Tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride can interfere with specific signaling cascades, making it a candidate for treating conditions such as inflammation and neurodegeneration.

The development of new drugs is a complex process that involves extensive testing and validation. Tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride is currently undergoing preclinical studies to assess its safety and efficacy. These studies include pharmacokinetic analysis, toxicity testing, and interaction studies with other compounds. The results of these studies will provide valuable insights into its potential as a therapeutic agent.

The use of computational methods has become increasingly important in drug discovery. Molecular modeling and simulations can predict the behavior of compounds before they are synthesized and tested experimentally. Tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride has been subjected to computational analysis to understand its interactions with biological targets. This approach has helped researchers identify promising derivatives with enhanced activity.

The future prospects of Tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride are promising, given its unique structural features and potential applications. As research continues, new derivatives and analogs may be developed that offer improved therapeutic profiles. The combination of experimental synthesis and computational modeling will be crucial in realizing this potential.

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