Cas no 886768-01-0 (tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate)

Tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate is a chemically synthesized piperazine derivative featuring a tert-butoxycarbonyl (Boc) protecting group and a 2-methoxyphenyl substituent. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical research, where it is employed in the development of bioactive molecules. The Boc group enhances stability and facilitates selective deprotection under mild acidic conditions, while the methoxyphenyl moiety contributes to structural diversity. Its well-defined reactivity and compatibility with various coupling reactions make it valuable for constructing complex heterocyclic frameworks. The compound is typically characterized by high purity and consistent performance in synthetic applications.
tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate structure
886768-01-0 structure
Product Name:tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate
CAS No:886768-01-0
MF:C16H24N2O3
MW:292.373364448547
MDL:MFCD06660458
CID:712908
PubChem ID:16740800
Update Time:2025-11-02

tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-Boc-3-(2-Methoxyphenyl)piperazine
    • 1-Piperazinecarboxylicacid, 3-(2-methoxyphenyl)-, 1,1-dimethylethyl ester
    • 3-(2-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • tert-butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate
    • GL-0470
    • 3-(2-Methoxyphenyl)-piperazine-1-carboxylic acid tert-butyl ester
    • DTXSID60587685
    • (S)-3-(2-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • MFCD06660458
    • AB46437
    • A923136
    • AKOS005257048
    • AB26742
    • AS-35471
    • AB46435
    • 1228568-57-7
    • FT-0660099
    • EN300-201481
    • 886768-01-0
    • 1228542-76-4
    • (R)-3-(2-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • Z1505708765
    • tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate
    • MDL: MFCD06660458
    • Inchi: 1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-9-17-13(11-18)12-7-5-6-8-14(12)20-4/h5-8,13,17H,9-11H2,1-4H3
    • InChI Key: ZYZAKSSQOYPQKT-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCNC(C2C=CC=CC=2OC)C1)=O

Computed Properties

  • Exact Mass: 292.17900
  • Monoisotopic Mass: 292.17869263g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 354
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2
  • Topological Polar Surface Area: 50.8?2

Experimental Properties

  • Density: 1.087
  • Boiling Point: 397°C at 760 mmHg
  • Flash Point: 193.9°C
  • Refractive Index: 1.516
  • PSA: 50.80000
  • LogP: 2.84330

tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate Security Information

tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:886768-01-0)tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate
Order Number:A923136
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 14:35
Price ($):476.0

Additional information on tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate

Comprehensive Guide to tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate (CAS No. 886768-01-0)

tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate (CAS No. 886768-01-0) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound, often referred to as a piperazine derivative, is widely utilized in the synthesis of bioactive molecules and drug intermediates. Its unique structure, featuring a tert-butyl carboxylate group and a methoxyphenyl moiety, makes it a versatile building block in medicinal chemistry.

The molecular formula of tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate is C16H24N2O3, with a molecular weight of approximately 292.38 g/mol. The compound is characterized by its piperazine ring, which is a common scaffold in many pharmaceuticals due to its ability to enhance solubility and bioavailability. The presence of the methoxy group at the ortho position of the phenyl ring further contributes to its reactivity and potential applications.

One of the key reasons for the growing interest in tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate is its role in the development of CNS-active compounds. Researchers are increasingly exploring its potential in designing molecules that target neurological disorders, such as anxiety and depression. This aligns with the current trend in the pharmaceutical industry, where there is a high demand for novel neuroprotective agents and psychoactive drugs.

In addition to its pharmaceutical applications, tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate is also used in academic and industrial research as a chemical intermediate. Its stability and reactivity make it an ideal candidate for multi-step synthetic routes, particularly in the preparation of complex heterocyclic compounds. This has led to its inclusion in numerous patent applications and research publications.

The synthesis of tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate typically involves the reaction of 2-methoxyphenylpiperazine with tert-butyl chloroformate under controlled conditions. The process requires careful optimization to achieve high yields and purity, which are critical for its subsequent use in drug development. Advanced analytical techniques, such as NMR spectroscopy and mass spectrometry, are employed to confirm the structure and purity of the final product.

From a market perspective, the demand for tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate is expected to rise due to its expanding applications in drug discovery and medicinal chemistry. The compound is often listed in catalogs of specialty chemical suppliers, catering to the needs of research institutions and pharmaceutical companies. Its price and availability may vary depending on the scale of production and the supplier's location.

Safety and handling of tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate are also important considerations. While it is not classified as a hazardous material, standard laboratory precautions should be followed, including the use of personal protective equipment (PPE) and proper ventilation. Researchers are advised to consult the material safety data sheet (MSDS) for detailed information on its handling and storage.

In summary, tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate (CAS No. 886768-01-0) is a valuable compound with diverse applications in pharmaceutical research and chemical synthesis. Its unique structural features and reactivity make it a promising candidate for the development of new therapeutic agents. As the demand for innovative drug candidates continues to grow, this compound is likely to remain a focal point of scientific investigation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:886768-01-0)tert-Butyl 3-(2-methoxyphenyl)piperazine-1-carboxylate
A923136
Purity:99%
Quantity:1g
Price ($):476.0
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