Cas no 374930-88-8 (Tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate)

Tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate is a brominated pyrimidine derivative featuring a piperazine core protected by a tert-butyloxycarbonyl (Boc) group. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. The bromine substituent at the 5-position of the pyrimidine ring enhances reactivity for further functionalization via cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. The Boc-protected piperazine moiety offers stability while allowing selective deprotection for downstream modifications. Its well-defined structure and high purity make it suitable for applications in drug discovery, where precise molecular frameworks are essential. The compound is typically handled under inert conditions to preserve its reactivity.
Tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate structure
374930-88-8 structure
Product Name:Tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
CAS No:374930-88-8
MF:C13H19BrN4O2
MW:343.219561815262
MDL:MFCD07375175
CID:304208
PubChem ID:21914476
Update Time:2025-10-14

Tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-Boc-4-(5-Bromopyrimidin-2-yl)piperazine
    • tert-Butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
    • 1-Piperazinecarboxylicacid, 4-(5-bromo-2-pyrimidinyl)-, 1,1-dimethylethyl ester
    • 4-(5-Bromopyrimidin-2-yl)piperazine-1-carboxylic acid tert-butyl ester
    • 5-BROMO-2-(4-BOC-PIPERAZIN-1-YL)PYRIMIDINE
    • 1-N-Boc-4-(5-Bromopyrimidin-2-yl)piperazine
    • C13H19BrN4O2
    • UKCBGXCNXOKVTF-UHFFFAOYSA-N
    • AB41360
    • SY064515
    • AM803807
    • S
    • DTXSID60620006
    • AKOS013100003
    • 1-tert-Butoxycarbonyl-4-(5-bromopyrimidin-2-yl)piperazine
    • tert-butyl4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
    • SCHEMBL712231
    • 4-(5-Bromopyrimidin-2yl)piperazine-1-carboxylic acid tert-butyl ester
    • tert-butyl 4-(5-bromanylpyrimidin-2-yl)piperazine-1-carboxylate
    • 4-(5-bromo-2-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester
    • EN300-3411510
    • 5-Bromo-2-(4-Boc-1-piperazinyl)pyrimidine
    • Z1157678817
    • 4-(5-bromopyrimidin-2-yl) piperazine-1-carboxylic acid tert-butyl ester
    • 374930-88-8
    • CS-W023002
    • DS-10283
    • 5-Bromo-2-(4-boc-piperazin-1-yl)pyrimidine, AldrichCPR
    • 1,1-dimethylethyl 4-(5-bromo-2-pyrimidinyl)-1-piperazinecarboxylate
    • FT-0653790
    • 1-dimethylethyl 4-(5-bromo-2-pyrimidinyl)-1-piperazinecarboxylate
    • MFCD07375175
    • 4-(5-Bromopyrirnidin-2-yl)piperazine-1-carboxylic acid tert-butyl ester
    • A823698
    • 5-BROMO-2-(4-BOC-PIPERAZIN-1-YL)PYRIMIDINE?
    • 1-piperazinecarboxylic acid, 4-(5-bromo-2-pyrimidinyl)-, 1,1-dimethylethyl ester
    • ALBB-027793
    • DB-001614
    • Tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
    • MDL： MFCD07375175
    • Inchi： 1S/C13H19BrN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7H2,1-3H3
    • InChI Key： UKCBGXCNXOKVTF-UHFFFAOYSA-N
    • SMILES： BrC1C=NC(=NC=1)N1CCN(C(=O)OC(C)(C)C)CC1

Computed Properties

  • Exact Mass: 342.06900
  • Monoisotopic Mass: 342.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 332
  • 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
  • Topological Polar Surface Area: 58.6
  • XLogP3: 2

Experimental Properties

  • Color/Form: Solid
  • Density: 1.414
  • Melting Point: No data available
  • Boiling Point: 451℃ at 760 mmHg
  • Flash Point: 226.5°C
  • Refractive Index: 1.562
  • PSA: 58.56000
  • LogP: 2.29910
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

Tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate Security Information

  • Signal Word：Danger
  • Hazard Statement： H301
  • Warning Statement： P301+P310
  • Hazardous Material transportation number：UN 2811 6.1 / PGIII
  • Hazard Category Code： 25
  • Safety Instruction： 45
  • Hazardous Material Identification： Xi
  • Storage Condition：Room temperature

Tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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