123207-57-8,MFCD01653374
Catalog No.:AA000K38

123207-57-8 | 4-(3-Nitrobenzyl)morpholine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$647.00   $453.00
- +
5g
98%
in stock  
$1,918.00 $1,343.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000K38
Chemical Name:
4-(3-Nitrobenzyl)morpholine
CAS Number:
123207-57-8
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD01653374
SMILES:
[O-][N+](=O)c1cccc(c1)CN1CCOCC1
Properties
Computed Properties
 
Complexity:
236  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Kinney,WilliamA.;Lee,NancyE.;Blank,RobertM.;Demerson,ChristopherA.;Sarnella,CarolS.;etal.[JournalofMedicinalChemistry,1990,vol.33,#1,p.327-336]

[2]CurrentPatentAssignee:MERCK&COINC-EP1214319,2003,B1Locationinpatent:Page/Pagecolumn15

[3]CurrentPatentAssignee:OTSUKAHOLDINGSCOLTD-WO2015/4481,2015,A1Locationinpatent:Page/Pagecolumn96;97

[4]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2007/18941,2007,A2Locationinpatent:Page/Pagecolumn84

[5]Collins,JonL.;Shearer,BarryG.;Oplinger,JeffreyA.;Lee,Shuliang;Garvey,EdwardP.;Salter,Mark;Duffy,Claire;Burnette,ThimystaC.;Furfine,EricS.[JournalofMedicinalChemistry,1998,vol.41,#15,p.2858-2871]

[6]CurrentPatentAssignee:MERCK&COINC-US5556969,1996,A

[7]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2007/53452,2007,A1Locationinpatent:Page/Pagecolumn149-150

[8]Řezníčková,Eva;Gucký,Tomáš;Kováčová,Veronika;Ajani,Haresh;Jorda,Radek;Kryštof,Vladimír[EuropeanJournalofMedicinalChemistry,2019,vol.182]

[9]CurrentPatentAssignee:SumitomoPharma(in:SumitomoChemical);SumitomoChemical(w/oDongwooFine-Chem);SUMITOMOCHEMICALCOMPANYLIMITED-WO2022/126133,2022,A1Locationinpatent:Paragraph00670

Literature
Quotation Request
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Additional Info:
SDS
Tags:123207-57-8 Molecular Formula|123207-57-8 MDL|123207-57-8 SMILES|123207-57-8 4-(3-Nitrobenzyl)morpholine
Catalog No.: AA000K38
123207-57-8,MFCD01653374
123207-57-8 | 4-(3-Nitrobenzyl)morpholine
Pack Size: 1g
Purity: 98%
in stock
$647.00 $453.00
Pack Size: 5g
Purity: 98%
in stock
$1,918.00 $1,343.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000K38
Chemical Name: 4-(3-Nitrobenzyl)morpholine
CAS Number: 123207-57-8
Molecular Formula: C11H14N2O3
Molecular Weight: 222.2405
MDL Number: MFCD01653374
SMILES: [O-][N+](=O)c1cccc(c1)CN1CCOCC1
Properties
Complexity: 236  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Downstream Synthesis Route
123207-57-8    123207-48-7 

[1]Kinney,WilliamA.;Lee,NancyE.;Blank,RobertM.;Demerson,ChristopherA.;Sarnella,CarolS.;etal.[JournalofMedicinalChemistry,1990,vol.33,#1,p.327-336]

[2]CurrentPatentAssignee:MERCK&COINC-EP1214319,2003,B1Locationinpatent:Page/Pagecolumn15

[3]CurrentPatentAssignee:OTSUKAHOLDINGSCOLTD-WO2015/4481,2015,A1Locationinpatent:Page/Pagecolumn96;97

[4]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2007/18941,2007,A2Locationinpatent:Page/Pagecolumn84

[5]Collins,JonL.;Shearer,BarryG.;Oplinger,JeffreyA.;Lee,Shuliang;Garvey,EdwardP.;Salter,Mark;Duffy,Claire;Burnette,ThimystaC.;Furfine,EricS.[JournalofMedicinalChemistry,1998,vol.41,#15,p.2858-2871]

[6]CurrentPatentAssignee:MERCK&COINC-US5556969,1996,A

[7]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2007/53452,2007,A1Locationinpatent:Page/Pagecolumn149-150

[8]Řezníčková,Eva;Gucký,Tomáš;Kováčová,Veronika;Ajani,Haresh;Jorda,Radek;Kryštof,Vladimír[EuropeanJournalofMedicinalChemistry,2019,vol.182]

[9]CurrentPatentAssignee:SumitomoPharma(in:SumitomoChemical);SumitomoChemical(w/oDongwooFine-Chem);SUMITOMOCHEMICALCOMPANYLIMITED-WO2022/126133,2022,A1Locationinpatent:Paragraph00670

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