Cas no 5625-46-7 (3,6-Dimethylpiperazine-2,5-dione)

3,6-Dimethylpiperazine-2,5-dione is a cyclic dipeptide derivative with a diketopiperazine (DKP) core structure. This compound is of interest in pharmaceutical and chemical research due to its rigid, heterocyclic framework, which serves as a versatile scaffold for drug design and peptidomimetics. Its structural features, including two amide bonds and methyl substituents at the 3- and 6-positions, contribute to enhanced stability and potential bioactivity. The compound is also utilized in studying conformational constraints in peptide chemistry and as a precursor for synthesizing more complex heterocyclic systems. Its well-defined stereochemistry and purity make it suitable for applications in medicinal chemistry and material science.
3,6-Dimethylpiperazine-2,5-dione structure
5625-46-7 structure
Product Name:3,6-Dimethylpiperazine-2,5-dione
CAS No:5625-46-7
MF:C6H10N2O2
MW:142.155801296234
MDL:MFCD00023153
CID:370128
PubChem ID:24862320
Update Time:2025-06-07

3,6-Dimethylpiperazine-2,5-dione Chemical and Physical Properties

Names and Identifiers

    • 3,6-Dimethylpiperazine-2,5-dione
    • Alanine anhydride
    • 2,5-Piperazinedione,3,6-dimethyl-
    • ACETIC ACID, 2-CYANO-,2-ETHYLBUTYL ESTER
    • 3,6-Dimethyl-2,5-diketopiperazine
    • Alanine diketopiperazine
    • Cyclo-DL-Ala-DL-Ala
    • Cyclo-DL-alanyl-DL-alanine
    • FT-0694588
    • J-640174
    • SY107292
    • 2,5-Piperazinedione, 3,6-dimethyl-
    • CS-W016429
    • 5625-46-7
    • 3,6-Dimethyl-piperazine-2,5-dione
    • Dimethyl-3,6 dioxo-2,5 piperazine
    • SB44758
    • NSC-29655
    • UNII-D05Q0A4C1Z
    • dl-Alanine anhydride
    • CHEBI:188952
    • FT-0621943
    • 2,5-Piperazinedione, 3,6-dimethyl-, trans-
    • 3,6-Dimethyldiketopiperazine
    • AKOS005423713
    • (l,l)-cis-3,6-Dimethylpiperazine-2,5-dione
    • J-800176
    • EINECS 227-058-1
    • WWISPHBAYBECQZ-UHFFFAOYSA-N
    • dl-2-aminopropionic anhydride
    • MFCD00190738
    • A830977
    • d,l-Alanine anhydride
    • 2, 3,6-dimethyl-
    • 3,6-Dimethyl-2,5-piperazinedione
    • MFCD00023153
    • BRN 0082120
    • NSC29655
    • Dimethyl-3,6 dioxo-2,5 piperazine [French]
    • 3,6-DIMETHYL PIPERAZINE-2,5-DIONE
    • SY351138
    • D05Q0A4C1Z
    • DS-6071
    • E76336
    • DTXSID60971681
    • NS00044960
    • Alanine anhydride, 99%
    • 3,6-dimethyl-3,6-dihydropyrazine-2,5-diol
    • SCHEMBL764361
    • Pyrazine, 3,6-dihydro-3,6-dimethyl-2,5-dihydroxy-
    • 3,6- Dimethyl-2,5-piperazindion
    • 5-24-05-00383 (Beilstein Handbook Reference)
    • NSC 29655
    • STK256611
    • DB-022129
    • DB-240799
    • Cyclo (L-Ala-L-ala)
    • MDL: MFCD00023153
    • Inchi: 1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)
    • InChI Key: WWISPHBAYBECQZ-UHFFFAOYSA-N
    • SMILES: O=C1C(C)NC(C(C)N1)=O

Computed Properties

  • Exact Mass: 142.07400
  • Monoisotopic Mass: 142.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 159
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 6
  • XLogP3: -0.5
  • Topological Polar Surface Area: 58.2?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.081
  • Melting Point: 283-285?°C (lit.)
  • Boiling Point: 259.72°C (rough estimate)
  • Flash Point: 107.7±30.1 °C
  • Refractive Index: 1.5010 (estimate)
  • Solubility: 1 M HCl: soluble25mg/mL, clear, colorless to light yellow
  • PSA: 58.20000
  • LogP: -0.33300
  • Solubility: Not determined

3,6-Dimethylpiperazine-2,5-dione Security Information

3,6-Dimethylpiperazine-2,5-dione 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%

3,6-Dimethylpiperazine-2,5-dione Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R028787-1g
3,6-Dimethylpiperazine-2,5-dione
5625-46-7 99%
1g
¥135 2024-05-22
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R028787-5g
3,6-Dimethylpiperazine-2,5-dione
5625-46-7 99%
5g
¥353 2024-05-22
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-WD943-1g
3,6-Dimethylpiperazine-2,5-dione
5625-46-7 98%
1g
123.0CNY 2021-08-04
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-WD943-5g
3,6-Dimethylpiperazine-2,5-dione
5625-46-7 98%
5g
376.0CNY 2021-08-04
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-WD943-200mg
3,6-Dimethylpiperazine-2,5-dione
5625-46-7 98%
200mg
55.0CNY 2021-08-04
SHANG HAI XIAN DING Biotechnology Co., Ltd.
JK749-1g
3,6-Dimethylpiperazine-2,5-dione
5625-46-7 97%
1g
267CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
JK749-250mg
3,6-Dimethylpiperazine-2,5-dione
5625-46-7 97%
250mg
106CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
JK749-5g
3,6-Dimethylpiperazine-2,5-dione
5625-46-7 97%
5g
788CNY 2021-05-08
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
362557-5G
3,6-Dimethylpiperazine-2,5-dione
5625-46-7 99%
5G
429.31 2021-05-17
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
A22120-5g
3,6-Dimethylpiperazine-2,5-dione
5625-46-7 99%
5g
¥378.0 2023-09-09

3,6-Dimethylpiperazine-2,5-dione Production Method

3,6-Dimethylpiperazine-2,5-dione Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:5625-46-7)3,6-Dimethylpiperazine-2,5-dione
Order Number:A830977
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:20
Price ($):177.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:5625-46-7)丙氨酸酐
Order Number:LE2469902
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:39
Price ($):discuss personally

Additional information on 3,6-Dimethylpiperazine-2,5-dione

Professional Introduction to 3,6-Dimethylpiperazine-2,5-dione (CAS No. 5625-46-7)

3,6-Dimethylpiperazine-2,5-dione, identified by the Chemical Abstracts Service Number (CAS No.) 5625-46-7, is a significant heterocyclic compound that has garnered considerable attention in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to the piperazine derivatives family, which is well-known for its diverse pharmacological properties and applications in drug development. The unique structural framework of 3,6-Dimethylpiperazine-2,5-dione, featuring two methyl groups at the 3 and 6 positions and a diketone moiety at the 2 and 5 positions, contributes to its distinctive chemical behavior and biological activity.

The compound’s molecular structure imparts a high degree of reactivity, making it a valuable intermediate in synthetic organic chemistry. Its diketone functional groups facilitate various chemical transformations, including condensation reactions, Michael additions, and cycloadditions, which are pivotal in constructing more complex molecular architectures. These synthetic capabilities have positioned 3,6-Dimethylpiperazine-2,5-dione as a versatile building block for the synthesis of pharmacologically active agents.

In recent years, 3,6-Dimethylpiperazine-2,5-dione has been extensively studied for its potential applications in medicinal chemistry. The piperazine core is a common scaffold in many drugs due to its ability to interact with biological targets such as enzymes and receptors. Researchers have explored its derivatives as candidates for treating neurological disorders, infectious diseases, and inflammatory conditions. The presence of methyl groups at the 3 and 6 positions enhances lipophilicity, which can improve membrane permeability and bioavailability of drug molecules.

One of the most promising areas of research involving 3,6-Dimethylpiperazine-2,5-dione is its role in developing novel antimicrobial agents. The increasing prevalence of antibiotic-resistant pathogens has underscored the need for innovative therapeutic strategies. Studies have demonstrated that certain derivatives of this compound exhibit potent activity against Gram-positive and Gram-negative bacteria. The diketone moiety plays a crucial role in disrupting bacterial cell wall synthesis and inhibiting key metabolic pathways. This has opened up new avenues for combating multidrug-resistant infections.

Furthermore, 3,6-Dimethylpiperazine-2,5-dione has been investigated for its potential in treating neurological disorders such as epilepsy and Parkinson’s disease. Piperazine derivatives are known to modulate neurotransmitter systems by acting on receptors such as dopamine receptors and serotonin receptors. Preclinical studies have shown that certain analogs of 3,6-Dimethylpiperazine-2,5-dione can attenuate seizure activity and improve motor function in animal models. These findings suggest that this compound may serve as a lead compound for developing new anticonvulsant and neuroprotective agents.

The synthesis of 3,6-Dimethylpiperazine-2,5-dione involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Common synthetic routes include condensation reactions between appropriate precursors followed by cyclization steps. Advances in catalytic methods have enabled more efficient and sustainable synthesis of this compound. For instance, transition metal-catalyzed reactions have been employed to streamline the formation of the piperazine ring and the diketone functional groups.

The pharmacokinetic properties of 3,6-Dimethylpiperazine-2,5-dione derivatives are also subjects of intense research. Factors such as solubility, stability, absorption rate, distribution volume, metabolism rate (via Phase I and Phase II pathways), and excretion rate are critical determinants of drug efficacy and safety. Computational modeling techniques have been increasingly utilized to predict these properties before experimental validation. This approach accelerates the drug discovery process by allowing researchers to optimize molecular structures for improved pharmacokinetic profiles.

In conclusion,3 ,6-Dimethyl piperazine - 2 ,5 - dione ( CAS No . 5625 -46 -7 ) represents a structurally intriguing compound with broad applications in pharmaceutical research . Its unique chemical properties make it an invaluable intermediate for synthesizing biologically active molecules . Ongoing studies continue to uncover new therapeutic potentials , particularly in antimicrobial therapy , neurology ,and other areas where novel drug candidates are urgently needed . As research progresses , further refinements in synthetic methodologies will likely enhance accessibility , paving the way for more comprehensive exploration of its pharmacological significance . p>

Recommended suppliers
Amadis Chemical Company Limited
(CAS:5625-46-7)3,6-Dimethylpiperazine-2,5-dione
A830977
Purity:99%
Quantity:25g
Price ($):177.0
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:5625-46-7)丙氨酸酐
LE2469902
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email