Home Other Building Blocks 13889-98-0
13889-98-0,MFCD00058676
Catalog No.:AA0019PG

13889-98-0 | 1-Acetylpiperazine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$6.00   $4.00
- +
10g
97%
in stock  
$11.00   $8.00
- +
25g
97%
in stock  
$24.00   $17.00
- +
100g
97%
in stock  
$37.00   $26.00
- +
500g
97%
in stock  
$178.00   $125.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0019PG
Chemical Name:
1-Acetylpiperazine
CAS Number:
13889-98-0
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
MDL Number:
MFCD00058676
SMILES:
CC(=O)N1CCNCC1
NSC Number:
39649
Properties
Properties
 
BP:
257.9 °C at 760 mmHg  
Form:
Liquid  
MP:
32-34 °C  
Refractive Index:
1.4880 (estimate)  
Solubility:
methanol: soluble1g/10 mL, clear, colorless to faintly greenish-yellow  
Stability:
Hygroscopic  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
108  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
-0.9  

Upstream Synthesis Route

[1]OrganicLetters,2010,vol.12,#19,p.4232-4235

[1]GreenChemistry,2012,vol.14,#2,p.326-329

[1]TetrahedronLetters,2008,vol.49,#18,p.3004-3008

[2]TetrahedronLetters,2008,vol.49,#18,p.3004-3008

[1]TetrahedronLetters,1994,vol.35,#15,p.2401-2404

[1]Patent:CN105461640,2016,A,

[2]Patent:CN105461640,2016,A,

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1990,vol.55,p.1676-1679

[1]TetrahedronLetters,1994,vol.35,p.2401-2404

13889-98-0    40138-16-7    82565-68-2    118-91-2   
(S)-3-2'-(4-Acetyl-piperazin-1-ylmethyl)-biphenyl-4-yl-2-(2-chloro-benzoylamino)-propionicacid 

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,p.2913-2917

[1]Chen,Wenteng;Liu,Shuangrong;Liu,Xingyu;Pan,Youlu;Shao,Jiaan[BioorganicandMedicinalChemistry,2020,vol.28,#19]

[2]CurrentPatentAssignee:SANOFI-US2012/277220,2012,A1Locationinpatent:Page/Pagecolumn18-19

[3]CurrentPatentAssignee:SINOBIOPHARMACEUTICALLIMITED-CN106905245,2017,ALocationinpatent:Paragraph0344;0345;0346;0347;0348

[4]Locationinpatent:schemeortableFinlay,M.RaymondV.;Acton,DavidG.;Andrews,DavidM.;Barker,AndrewJ.;Dennis,Michael;Fisher,Eric;Graham,MarkA.;Green,CliveP.;Heaton,DavidW.;Karoutchi,Galith;Loddick,SarahA.;Morgentin,Remy;Roberts,Andrew;Tucker,JulieA.;Weir,HazelM.[BioorganicandMedicinalChemistryLetters,2008,vol.18,#15,p.4442-4446]

[5]CurrentPatentAssignee:THERAVANCEBIOPHARMA,INC.-WO2021/108803,2021,A1Locationinpatent:Page/Pagecolumn53-54

[6]CurrentPatentAssignee:EVOTECAG-WO2008/122787,2008,A1Locationinpatent:Page/Pagecolumn81

[7]VanderWel,ScottN.;Harvey,PatriciaJ.;McNamara,DennisJ.;Repine,JosephT.;Keller,PaulR.;QuinIII,John;Booth,R.John;Elliott,WilliamL.;Dobrusin,EllenM.;Fry,DavidW.;Toogood,PeterL.[JournalofMedicinalChemistry,2005,vol.48,#7,p.2371-2387]

[8]Locationinpatent:schemeortableWang,Shudong;Midgley,CarolA.;Scaërou,Frederic;Grabarek,JoannaB.;Griffiths,Gary;Jackson,Wayne;Kontopidis,George;McClue,StevenJ.;McInnes,Campbell;Meades,Christopher;Mezna,Mokdad;Plater,Andy;Stuart,Iain;Thomas,MarkP.;Wood,Gavin;Clarke,RosemaryG.;Blake,DavidG.;Zheleva,DaniellaI.;Lane,DavidP.;Jackson,RobertC.;Glover,DavidM.;Fischer,PeterM.[JournalofMedicinalChemistry,2010,vol.53,#11,p.4367-4378]

[9]Chen,Lijuan;Cui,Xue;Pei,Heying;Qi,Wenyan;Shi,Mingsong;Tang,Minghai;Xu,Yaohui;Yang,Linyu;Yang,Tao;Yang,Zhuang;Zhang,Wanhua;Zhu,Zejiang;xie,Lixin[JournalofMedicinalChemistry,2022,vol.65,#4,p.3151-3172]

13889-98-0    1667-10-3   
4,4'-biphenyl-4,4'-diylbis(methylene)bis-(piperazin-1-yl-ethan-1-one) 

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.9911-9924

[2]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.4063-4067

Literature

Title: Strategies to prevent N-acetyltransferase-mediated metabolism in a series of piperazine-containing pyrazalopyrimidine compounds.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20080901

Title: Process development and large-scale synthesis of NK1 antagonist.

Journal: Chemical & pharmaceutical bulletin 20080201

Title: Design, synthesis, and evaluation of novel 2-substituted-4-aryl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,5]oxazocin-5-ones as NK1 antagonists.

Journal: Bioorganic & medicinal chemistry 20051015

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