Cas no 78818-15-2 (Benzyl 3-oxopiperazine-1-carboxylate)

Benzyl 3-oxopiperazine-1-carboxylate is a versatile intermediate in organic synthesis, particularly valued for its role in the preparation of pharmacologically active compounds. Its structural features, including the reactive 3-oxopiperazine core and benzyl carboxylate protecting group, make it a useful building block for the development of piperazine-based derivatives. The compound exhibits good stability under standard handling conditions, facilitating its use in multi-step synthetic routes. Its compatibility with a range of reagents and conditions allows for selective modifications, enabling the synthesis of diverse heterocyclic scaffolds. This intermediate is commonly employed in medicinal chemistry research for the design of potential drug candidates targeting CNS and other therapeutic areas.
Benzyl 3-oxopiperazine-1-carboxylate structure
78818-15-2 structure
Product Name:Benzyl 3-oxopiperazine-1-carboxylate
CAS No:78818-15-2
MF:C12H14N2O3
MW:234.251163005829
MDL:MFCD00173924
CID:90743
PubChem ID:736777
Update Time:2025-06-06

Benzyl 3-oxopiperazine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Benzyl 3-oxopiperazine-1-carboxylate
    • 1-Piperazinecarboxylicacid, 3-oxo-, phenylmethyl ester
    • 1-Z-3-oxopiperazine
    • 4-Benzyloxycarbonyl-2-oxopiperazine
    • 4-BENZYLOXYCARBONYLPIPERAZIN-2-ONE
    • Benzyl 3-oxotetrahydro-1(2H)-pyrazinecarboxylate
    • Piperazin-2-one, N4-CBZ protected
    • 1-Benzyloxycarbonyl-3-oxopiperazine
    • 1-Carbobenzoxy-3-oxopiperazine
    • 1-Cbz-3-oxopiperazine
    • 3-Oxopiperazine-1-carboxylic Acid Benzyl Ester
    • 4-Benzyloxycarbonyl-2-piperazinone
    • 4-Cbz-piperazinone
    • 4-CBZ-piperazin-2-one
    • 1-Piperazinecarboxylic acid, 3-oxo-, phenylmethyl ester
    • phenylmethyl 3-oxopiperazinecarboxylate
    • n'-z-piperazin-2-one
    • n'-cbz-piperazin-2-one
    • Maybridge1_008979
    • 4-N-Cbz-2-o
    • Z31603335
    • 1-carbobenzoxypiperazin-3-one
    • BCP03381
    • 4-benzyloxycarbonyl-2-oxo-piperazine
    • benzyl 3-oxo-1-piperazinecarboxylate
    • CS-W002474
    • Oprea1_422795
    • 4-(Benzyloxycarbonyl)-piperazin-2-one
    • SCHEMBL92518
    • DTXSID60353100
    • MFCD00173924
    • SR-01000003820-2
    • Benzyl 3-Oxopiperazine-1-carboxylate;1-Cbz-3-oxopiperazine
    • MixCom3_000033
    • 4-(Benzyloxycarbonyl)-2-piperazinone
    • 3-oxopiperazine-carboxylic acid benzyl ester
    • SY018232
    • J-519795
    • SB12580
    • EN300-129979
    • A839503
    • 4-benzyloxycarbonyl-piperazin-2-one
    • 1-Z-3-oxopiperazine, 97%
    • 3-oxo-piprazine-1-carboxylic acid benzyl ester
    • BRD-K49349109-001-01-7
    • 4-(benzyloxy)carbonyl-2-piperazinone
    • AM20041176
    • 4-benzyloxycarbonylpiperazine-2-one
    • 3-oxo-piperazine-1-carboxylic acid benzyl ester
    • CCG-49850
    • 3-Oxopiperazine-1-carboxylic acid benzyl ester, 4-Benzyloxycarbonyl-2-piperazinone
    • 78818-15-2
    • 4-benyloxycarbonylpiperazin-2-one
    • SR-01000003820
    • AKOS005069579
    • FT-0622800
    • BAHFPJFBMJTOPU-UHFFFAOYSA-N
    • SR-01000003820-1
    • 11X-0974
    • phenylmethyl 3-oxo-1-piperazinecarboxylate
    • 1-(2-Phenylaziridin-1-yl)propan-2-ol
    • Phenylmethyl 3-oxo-1-piperazinecarboxylate (ACI)
    • 3-Ketopiperazine-1-carboxylic acid benzyl ester
    • benzyl3-oxopiperazine-1-carboxylate
    • (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate
    • WVU
    • DB-031908
    • MDL： MFCD00173924
    • Inchi： 1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
    • InChI Key： BAHFPJFBMJTOPU-UHFFFAOYSA-N
    • SMILES： O=C(N1CCNC(=O)C1)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 234.10000
  • Monoisotopic Mass: 234.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 288
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 0.7
  • Topological Polar Surface Area: 58.6

Experimental Properties

  • Color/Form: Powder
  • Density: 1.243
  • Melting Point: 117.0 to 121.0 deg-C
  • Boiling Point: 459.8±45.0 °C at 760 mmHg
  • Flash Point: 231.9±28.7 °C
  • Refractive Index: 1.56
  • PSA: 58.64000
  • LogP: 1.02170
  • Solubility: Not determined

Benzyl 3-oxopiperazine-1-carboxylate Security Information

  • Symbol: GHS07
  • Prompt：warning
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305 + P351 + P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26; S36/37/39
  • Hazardous Material Identification： Xi
  • Safety Term：S26-S36/37/39
  • Risk Phrases：R36/37/38
  • HazardClass：IRRITANT
  • Storage Condition：Store at room temperature

Benzyl 3-oxopiperazine-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%

Benzyl 3-oxopiperazine-1-carboxylate Pricemore >>

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Benzyl 3-oxopiperazine-1-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium carbonate Solvents: Tetrahydrofuran ,  Water ;  rt → 0 °C; 0 °C; 16 h, rt
Reference
Synthesis of 5-(2-oxo-piperazin)-nicotinic acid
Li, Yue; Wang, Yu; Teng, Da-wei, Huaxue Yu Shengwu Gongcheng, 2015, 32(6), 40-42

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Ethyl acetate ,  Water ;  16 h, rt
Reference
Substituted 2,5-diazabicyclo[4.1.0]heptanes and their application as general piperazine surrogates: synthesis and biological activity of a Ciprofloxacin analogue
Taylor, Rivka R. R.; Twin, Heather C.; Wen, Wendy W.; Mallot, Rebecca J.; Lough, Alan J.; et al, Tetrahedron, 2010, 66(18), 3370-3377

Production Method 3

Reaction Conditions
1.1 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  0 °C; rt
Reference
Discovery of 2-substituted 1H-benzo[d]imidazole-4-carboxamide derivatives as novel poly(ADP-ribose)polymerase-1 inhibitors with in vivo anti-tumor activity
Zhou, Jie; Ji, Ming; Zhu, Zhixiang; Cao, Ran; Chen, Xiaoguang; et al, European Journal of Medicinal Chemistry, 2017, 132, 26-41

Benzyl 3-oxopiperazine-1-carboxylate Raw materials

Benzyl 3-oxopiperazine-1-carboxylate Preparation Products

Benzyl 3-oxopiperazine-1-carboxylate Related Literature

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