Cas no 1053656-94-2 (6-hydroxymethyl-[1,4]diazepane-1-carboxylic Acid Tert-butyl Ester)

6-hydroxymethyl-[1,4]diazepane-1-carboxylic Acid Tert-butyl Ester structure
1053656-94-2 structure
Product Name:6-hydroxymethyl-[1,4]diazepane-1-carboxylic Acid Tert-butyl Ester
CAS No:1053656-94-2
MF:C11H22N2O3
MW:230.303983211517
CID:1152702
PubChem ID:56924603
Update Time:2025-10-29

6-hydroxymethyl-[1,4]diazepane-1-carboxylic Acid Tert-butyl Ester Chemical and Physical Properties

Names and Identifiers

    • 6-hydroxymethyl-[1,4]diazepane-1-carboxylic Acid Tert-butyl Ester
    • hexahydro-6-(hydroxymethyl)-1H-1,4-Diazepine-1-carboxylic acid 1,1-dimethylethyl ester
    • tert-butyl6-(Hydroxymethyl)-1,4-diazepane-1-carboxylate
    • DTXSID601142273
    • 1,1-Dimethylethyl hexahydro-6-(hydroxymethyl)-1H-1,4-diazepine-1-carboxylate
    • 1053656-94-2
    • F93918
    • DA-19380
    • A898734
    • EN300-5234379
    • tert-butyl 6-(Hydroxymethyl)-1,4-diazepane-1-carboxylate
    • AKOS015856466
    • Inchi: 1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-12-6-9(7-13)8-14/h9,12,14H,4-8H2,1-3H3
    • InChI Key: RZCWERACOAHBGR-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCNCC(CO)C1)=O

Computed Properties

  • Exact Mass: 364.20000
  • Monoisotopic Mass: 230.16304257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 238
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 61.8?2

Experimental Properties

  • Density: 1.061±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Soluble (120 g/l) (25 o C),
  • PSA: 79.31000
  • LogP: 2.36020

6-hydroxymethyl-[1,4]diazepane-1-carboxylic Acid Tert-butyl Ester Pricemore >>

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Additional information on 6-hydroxymethyl-[1,4]diazepane-1-carboxylic Acid Tert-butyl Ester

6-Hydroxymethyl-[1,4]diazepane-1-carboxylic Acid Tert-butyl Ester (CAS 1053656-94-2): A Comprehensive Overview

The 6-hydroxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester (CAS 1053656-94-2) is a specialized chemical intermediate with significant relevance in pharmaceutical research and organic synthesis. This compound, often referred to as 6-Hydroxymethyl diazepane tert-butyl ester, belongs to the diazepane family, which is known for its versatile applications in drug discovery and development. Its unique structure, featuring both a hydroxymethyl group and a tert-butyl ester moiety, makes it a valuable building block for synthesizing more complex molecules.

One of the most searched questions in the field of organic chemistry intermediates is: "What are the applications of 6-hydroxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester?" Researchers and chemists frequently explore this compound due to its potential in creating bioactive molecules, particularly in the development of central nervous system (CNS) therapeutics. The presence of the diazepane ring, a common scaffold in many CNS-active drugs, enhances its importance in medicinal chemistry.

The synthesis of 6-hydroxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester involves multi-step organic reactions, often starting from readily available precursors. Its tert-butyl ester group provides stability during synthetic transformations, while the hydroxymethyl functionality offers a handle for further derivatization. This dual functionality is why the compound is highly sought after in peptide mimetics and small molecule drug design.

In recent years, the demand for high-purity chemical intermediates like 6-hydroxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester has surged, driven by advancements in AI-driven drug discovery and high-throughput screening. Researchers are increasingly looking for reliable sources of this compound to accelerate their projects. A frequently asked question in online forums is: "Where can I purchase 6-hydroxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester with high purity?" This reflects the growing interest in quality-controlled intermediates for precision chemistry.

The physicochemical properties of 6-hydroxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester also contribute to its utility. Its moderate solubility in organic solvents like dichloromethane and methanol makes it suitable for various reaction conditions. Additionally, the tert-butyl protecting group can be selectively removed under mild acidic conditions, enabling further functionalization without disrupting the diazepane core. This feature is particularly valuable in combinatorial chemistry and library synthesis.

Another trending topic in the chemical community is the role of sustainable synthesis in producing intermediates like 6-hydroxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester. Environmental concerns have led to increased searches for "green chemistry approaches for diazepane derivatives". Researchers are exploring catalytic methods and solvent-free reactions to minimize waste and improve the sustainability of such syntheses.

From a market perspective, the global demand for 6-hydroxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester is expected to grow, particularly in regions with strong pharmaceutical R&D sectors like North America, Europe, and Asia-Pacific. The compound's application in neurological disorder research and GPCR-targeted drug development further enhances its commercial potential. Companies specializing in custom synthesis and contract research are actively listing this intermediate in their portfolios to meet client needs.

In summary, 6-hydroxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester (CAS 1053656-94-2) is a pivotal chemical intermediate with broad applications in pharmaceutical research. Its unique structural features, combined with the growing demand for high-quality building blocks, make it a compound of significant interest. As the fields of drug discovery and organic synthesis continue to evolve, the importance of such specialized intermediates will only increase, driving further innovation and research.

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