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Home Carboxes 112275-50-0
112275-50-0,MFCD00276987
Catalog No.:AA0032MD

112275-50-0 | tert-Butyl 1,4-diazepane-1-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$7.00   $5.00
- +
5g
97%
in stock  
$19.00   $14.00
- +
10g
98%
in stock  
$32.00   $22.00
- +
25g
98%
in stock  
$58.00   $40.00
- +
100g
97%
in stock  
$229.00   $160.00
- +
  • 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:
AA0032MD
Chemical Name:
tert-Butyl 1,4-diazepane-1-carboxylate
CAS Number:
112275-50-0
Molecular Formula:
C10H20N2O2
Molecular Weight:
200.2780
MDL Number:
MFCD00276987
SMILES:
O=C(N1CCNCCC1)OC(C)(C)C
Properties
Properties
 
BP:
95-110°C at 760 mmHg  
Form:
Liquid  
MP:
143.4 °C  
Refractive Index:
n20/D 1.471(lit.)  
Stability:
Air Sensitive  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
199  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.8  

Upstream Synthesis Route

[1]Patent:EP2578588,2013,A1,.Locationinpatent:Paragraph0110;0111

[2]BioorganicandMedicinalChemistry,2010,vol.18,#16,p.6143-6148

[3]Patent:US2016/168156,2016,A1,.Locationinpatent:Paragraph0592;0593

[4]Patent:US2003/216375,2003,A1,

[5]BioorganicandMedicinalChemistryLetters,2012,vol.22,#17,p.5493-5497

[6]BioorganicandMedicinalChemistry,2008,vol.16,#15,p.7291-7301

[7]Patent:EP914319,2001,B1,

[8]Patent:US6686353,2004,B1,.Locationinpatent:Page/Pagecolumn120-121

[9]TetrahedronLetters,2008,vol.49,#34,p.5047-5049

[10]JournaloftheAmericanChemicalSociety,2009,vol.131,#40,p.14413-14418

[11]Patent:US6337326,2002,B1,.Locationinpatent:Example1

[12]Patent:WO2017/219083,2017,A1,.Locationinpatent:Page/Pagecolumn71;72

[13]Patent:US2003/153556,2003,A1,

[14]Patent:US6335324,2002,B1,.Locationinpatent:Pagecolumn92

[15]JournalofMedicinalChemistry,2011,vol.54,#4,p.1033-1058

[16]BioorganicandMedicinalChemistry,2013,vol.21,#11,p.2988-2998

[1]Patent:CN106810467,2017,A,.Locationinpatent:Paragraph0020;0044;0046

[1]Patent:US6262046,2001,B1,

[1]Patent:US5380724,1995,A,

[1]Patent:WO2003/101994,2003,A1,.Locationinpatent:Page84

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartSchön,Uwe;Messinger,Josef;Buckendahl;Prabhu;Konda[Tetrahedron,2009,vol.65,#39,p.8125-8131]

[2]Nielsen,SimonFeldbœk;Nielsen,ElsebetØstergaard;Olsen,GunnarM.;Liljefors,Tommy;Peters,Dan[JournalofMedicinalChemistry,2000,vol.43,#11,p.2217-2226]

[3]CurrentPatentAssignee:DANPET-US2002/45618,2002,A1

[4]CurrentPatentAssignee:DANPET-US2004/72823,2004,A1Locationinpatent:Page/Pagecolumn17

[5]CurrentPatentAssignee:NEUROPORETHERAPIES-WO2022/67114,2022,A1Locationinpatent:Paragraph0259

[6]CurrentPatentAssignee:NEUROPORETHERAPIES-WO2022/67114,2022,A1Locationinpatent:Paragraph0259

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP1764367,2007,A1Locationinpatent:Page/Pagecolumn96

[2]CurrentPatentAssignee:IPSENSA-US6340700,2002,B1Locationinpatent:Pagecolumn40

[3]CurrentPatentAssignee:UNIVERSITYOFLONDON-WO2020/99886,2020,A1Locationinpatent:Paragraph00342

[4]Koshio,Hiroyuki;Hirayama,Fukushi;Ishihara,Tsukasa;Taniuchi,Yuta;Sato,Kazuo;Sakai-Moritani,Yumiko;Kaku,Seiji;Kawasaki,Tomihisa;Matsumoto,Yuzo;Sakamoto,Shuichi;Tsukamoto,Shin-Ichi[BioorganicandMedicinalChemistry,2004,vol.12,#9,p.2179-2191]

[5]CurrentPatentAssignee:NUVATIONBIOINC-US2019/106436,2019,A1Locationinpatent:Paragraph0648-0650

[6]CurrentPatentAssignee:SYNTAPHARMACEUTICALSCORP.-US2010/35864,2010,A1Locationinpatent:Page/Pagecolumn7

[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:experimentalpartPerez-Silanes,Silvia;Berrade,Luis;Garcia-Sanchez,RoryN.;Mendoza,Adela;Galiano,Silvia;Perez-Solorzano,BertaMartin;Nogal-Ruiz,JuanJ.;Martinez-Fernandez,AntonioR.;Aldana,Ignacio;Monge,Antonio[Molecules,2009,vol.14,#10,p.4120-4135]

[9]CurrentPatentAssignee:SHIJIAZHUANGSAGACITYNEWDRUGDEVELOPMENTCOLTD-US2020/325145,2020,A1Locationinpatent:Paragraph0167-0170;0302-0304

[10]Kang,Dongwei;Sun,Yanying;Feng,Da;Gao,Shenghua;Wang,Zhao;Jing,Lanlan;Zhang,Tao;Jiang,Xiangyi;Lin,Hao;DeClercq,Erik;Pannecouque,Christophe;Zhan,Peng;Liu,Xinyong[JournalofMedicinalChemistry,2022,vol.65,#3,p.2458-2470]

[1]JournalofMedicinalChemistry,2008,vol.51,p.6581-6591

[2]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.1040-1044

[1]JournalofMedicinalChemistry,2008,vol.51,p.6581-6591

[2]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.1040-1044

[3]Patent:WO2012/71684,2012,A1.Locationinpatent:Page/Pagecolumn26

[4]Patent:US2013/224107,2013,A1.Locationinpatent:Paragraph0160;0161;0162;0163

[1]Patent:WO2007/126935,2007,A2.Locationinpatent:Page/Pagecolumn29

Literature

Title: Synthesis of a histamine H(3) receptor antagonist-manipulation of hydroxyproline stereochemistry, desymmetrization of homopiperazine, and nonextractive sodium triacetoxyborohydride reaction workup.

Journal: The Journal of organic chemistry 20100702

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