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204078-31-9,MFCD07368523
Catalog No.:AA007154

204078-31-9 | 3-Morpholin-4-ylbenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$43.00   $30.00
- +
5g
97%
in stock  
$99.00   $69.00
- +
10g
97%
in stock  
$170.00   $119.00
- +
25g
97%
in stock  
$337.00   $236.00
- +
100g
97%
in stock  
$1,027.00 $719.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007154
Chemical Name:
3-Morpholin-4-ylbenzonitrile
CAS Number:
204078-31-9
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD07368523
SMILES:
N#Cc1cccc(c1)N1CCOCC1
Properties
Computed Properties
 
Complexity:
227  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Upstream Synthesis Route

[1]JournalofOrganicChemistry,2008,vol.73,#8,p.3047-3062

[2]OrganicLetters,2003,vol.5,#14,p.2413-2415

[3]TetrahedronLetters,2001,vol.42,#23,p.3917-3919

[1]EuropeanJournalofInorganicChemistry,2005,#24,p.5011-5017

[2]Tetrahedron,1999,vol.55,#46,p.13285-13300

[3]Tetrahedron,2008,vol.64,#40,p.9507-9514

[4]JournalofOrganometallicChemistry,2009,vol.694,#9-10,p.1473-1481

[1]Patent:US2002/193389,2002,A1,

[2]Patent:US6127541,2000,A,

[1]OrganicLetters,2012,vol.14,#16,p.4230-4233

[1]JournalofOrganicChemistry,2004,vol.69,#18,p.6010-6017

Downstream Synthesis Route

[1]Lee,Jian-Cheng;Wang,Ming-Gin;Hong,Fung-E.[EuropeanJournalofInorganicChemistry,2005,#24,p.5011-5017]

[2]Belfield,AndrewJ.;Brown,GeorgeR.;Foubister,AlanJ.;Ratcliffe,PaulD.[Tetrahedron,1999,vol.55,#46,p.13285-13300]

[3]Hsiao,You-Chen;Chiang,Wen-Yuan;Weng,Chia-Ming;Hong,Fung-E.[Tetrahedron,2008,vol.64,#40,p.9507-9514]

[4]Daili,Farah;Sengmany,Stéphane;Léonel,Eric[EuropeanJournalofOrganicChemistry,2021,vol.2021,#17,p.2462-2469]

[5]Li,Wu;Liu,Weiping;Leonard,DavidK.;Rabeah,Jabor;Junge,Kathrin;Brückner,Angelika;Beller,Matthias[AngewandteChemie-InternationalEdition,2019,vol.58,#31,p.10693-10697][Angew.Chem.,2019,vol.131,#31,p.10803-10807,5]

[6]Locationinpatent:experimentalpartChiang,Wen-Yuan;Hong,Fung-E[JournalofOrganometallicChemistry,2009,vol.694,#9-10,p.1473-1481]

[1]Tetrahedron,1999,vol.55,p.13285-13300

[2]Patent:WO2003/90912,2003,A1.Locationinpatent:Page/Pagecolumn95-96

[1]Bolliger,JeanneL.;Frech,ChristianM.[Tetrahedron,2009,vol.65,#6,p.1180-1187]

Literature
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SDS
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Historical Records
1092346-15-0

1092346-15-0
Tags:204078-31-9 Molecular Formula|204078-31-9 MDL|204078-31-9 SMILES|204078-31-9 3-Morpholin-4-ylbenzonitrile
Catalog No.: AA007154
204078-31-9,MFCD07368523
204078-31-9 | 3-Morpholin-4-ylbenzonitrile
Pack Size： 1g
Purity： 97%
in stock
$43.00 $30.00
Pack Size： 5g
Purity： 97%
in stock
$99.00 $69.00
Pack Size： 10g
Purity： 97%
in stock
$170.00 $119.00
Pack Size： 25g
Purity： 97%
in stock
$337.00 $236.00
Pack Size： 100g
Purity： 97%
in stock
$1,027.00 $719.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007154
Chemical Name: 3-Morpholin-4-ylbenzonitrile
CAS Number: 204078-31-9
Molecular Formula: C11H12N2O
Molecular Weight: 188.2258
MDL Number: MFCD07368523
SMILES: N#Cc1cccc(c1)N1CCOCC1
Properties
Complexity: 227  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Upstream Synthesis Route
110-91-8    766-84-7    204078-31-9 

[1]JournalofOrganicChemistry,2008,vol.73,#8,p.3047-3062

[2]OrganicLetters,2003,vol.5,#14,p.2413-2415

[3]TetrahedronLetters,2001,vol.42,#23,p.3917-3919

110-91-8    6952-59-6    204078-31-9 

[1]EuropeanJournalofInorganicChemistry,2005,#24,p.5011-5017

[2]Tetrahedron,1999,vol.55,#46,p.13285-13300

[3]Tetrahedron,2008,vol.64,#40,p.9507-9514

[4]JournalofOrganometallicChemistry,2009,vol.694,#9-10,p.1473-1481

110-91-8    873-62-1    204078-31-9 

[1]Patent:US2002/193389,2002,A1,

[2]Patent:US6127541,2000,A,

5765-65-1    1393640-41-9    204078-31-9 

[1]OrganicLetters,2012,vol.14,#16,p.4230-4233

110-91-8    69113-59-3    204078-31-9 

[1]JournalofOrganicChemistry,2004,vol.69,#18,p.6010-6017

Downstream Synthesis Route
110-91-8    6952-59-6    204078-31-9 

[1]Lee,Jian-Cheng;Wang,Ming-Gin;Hong,Fung-E.[EuropeanJournalofInorganicChemistry,2005,#24,p.5011-5017]

[2]Belfield,AndrewJ.;Brown,GeorgeR.;Foubister,AlanJ.;Ratcliffe,PaulD.[Tetrahedron,1999,vol.55,#46,p.13285-13300]

[3]Hsiao,You-Chen;Chiang,Wen-Yuan;Weng,Chia-Ming;Hong,Fung-E.[Tetrahedron,2008,vol.64,#40,p.9507-9514]

[4]Daili,Farah;Sengmany,Stéphane;Léonel,Eric[EuropeanJournalofOrganicChemistry,2021,vol.2021,#17,p.2462-2469]

[5]Li,Wu;Liu,Weiping;Leonard,DavidK.;Rabeah,Jabor;Junge,Kathrin;Brückner,Angelika;Beller,Matthias[AngewandteChemie-InternationalEdition,2019,vol.58,#31,p.10693-10697][Angew.Chem.,2019,vol.131,#31,p.10803-10807,5]

[6]Locationinpatent:experimentalpartChiang,Wen-Yuan;Hong,Fung-E[JournalofOrganometallicChemistry,2009,vol.694,#9-10,p.1473-1481]

204078-31-9    215309-00-5 

[1]Tetrahedron,1999,vol.55,p.13285-13300

[2]Patent:WO2003/90912,2003,A1.Locationinpatent:Page/Pagecolumn95-96

110-91-8    623-03-0    204078-31-9    10282-31-2 

[1]Bolliger,JeanneL.;Frech,ChristianM.[Tetrahedron,2009,vol.65,#6,p.1180-1187]

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