109-11-5,MFCD00631009
Catalog No.:AA003JJF

109-11-5 | Morpholin-3-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
>97%
in stock  
$13.00   $9.00
- +
10g
>97%
in stock  
$16.00   $11.00
- +
25g
>97%
in stock  
$31.00   $22.00
- +
50g
95%
in stock  
$54.00   $38.00
- +
100g
95%
in stock  
$87.00   $61.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003JJF
Chemical Name:
Morpholin-3-one
CAS Number:
109-11-5
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
MDL Number:
MFCD00631009
SMILES:
O=C1COCCN1
NSC Number:
11688
Properties
Properties
 
BP:
313°C at 760 mmHg  
Form:
Solid  
MP:
103.0 to 107.0 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
81.8  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.8  

Upstream Synthesis Route

[1]Tetrahedron,2015,vol.71,#37,p.6349-6353

[2]Patent:CN104513239,2017,B,.Locationinpatent:Paragraph0197;0238;0249;0250

[3]ChemicalCommunications,2012,vol.48,#1,p.145-147

[4]Patent:US5002937,1991,A,

[5]Patent:WO2006/63113,2006,A2,.Locationinpatent:Page/Pagecolumn98-99

[6]Patent:WO2006/63293,2006,A2,.Locationinpatent:Page/Pagecolumn43

[7]Patent:JP2015/13809,2015,A,.Locationinpatent:Paragraph0097

[1]Patent:US2011/306599,2011,A1,.Locationinpatent:Page/Pagecolumn35

[1]Patent:WO2006/55951,2006,A2,.Locationinpatent:Page/Pagecolumn44

[1]BulletinoftheKoreanChemicalSociety,2012,vol.33,#2,p.739-741

[2]BulletinoftheKoreanChemicalSociety,2012,vol.33,#1,p.333-336

[1]Patent:US2007/259924,2007,A1,.Locationinpatent:Page/Pagecolumn24

Downstream Synthesis Route

[1]Patent:WO2006/72350,2006,A1.Locationinpatent:Page/Pagecolumn36

[2]Patent:WO2006/72353,2006,A1.Locationinpatent:Page/Pagecolumn29

[3]BulletindelaSocieteChimiquedeFrance,1956,p.1210

[4]ChemischeBerichte,1968,vol.101,p.1979-1986

[5]Patent:US6344453,2002,B1.Locationinpatent:Pagecolumn7

7397-62-8   
aziridiniumtetrafluoroborate 
  109-11-5 

[1]AngewandteChemie,1967,vol.79,p.188

[1]JournalofHeterocyclicChemistry,2019,vol.56,p.2068-2073

[2]Patent:WO2021/102204,2021,A1.Locationinpatent:Paragraph00290

[3]Patent:WO2013/49719,2013,A1.Locationinpatent:Paragraph00197

[4]Patent:WO2017/12576,2017,A1.Locationinpatent:Page/Pagecolumn177

[5]JournalofMedicinalChemistry,1992,vol.35,p.2928-2938

[6]JournalofMedicinalChemistry,2021,vol.64,p.10286-10296

109-11-5    945559-61-5   
5-chloro-thiophene-2-carboxylicacid-N-({1-4-(3-oxo-morpholin-4-yl)-phenyl-1H-imidazol-4-yl}-methyl)-amide 

[1]Patent:US2007/259924,2007,A1.Locationinpatent:Page/Pagecolumn24-25

[1]Patent:US2005/203078,2005,A1.Locationinpatent:Page/Pagecolumn50

[2]Patent:WO2005/82895,2005,A1.Locationinpatent:Page/Pagecolumn127-128

Literature

Title: Remodelling of the natural product fumagillol employing a reaction discovery approach.

Journal: Nature chemistry 20111201

Title: 4-(3-Fluoro-4-nitro-phen-yl)morpholin-3-one.

Journal: Acta crystallographica. Section E, Structure reports online 20110601

Title: Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.

Journal: Bioorganic & medicinal chemistry letters 20110315

Title: Metabolism and excretion of rivaroxaban, an oral, direct factor Xa inhibitor, in rats, dogs, and humans.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20090501

Title: In vitro metabolism of rivaroxaban, an oral, direct factor Xa inhibitor, in liver microsomes and hepatocytes of rats, dogs, and humans.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20090501

Title: Morpholinone mediated oxazolone-free C-terminus amide coupling permitting a convergent strategy for peptide synthesis.

Journal: Journal of peptide science : an official publication of the European Peptide Society 20090101

Title: Novel morpholin-3-one derivatives induced apoptosis and elevated the level of P53 and Fas in A549 lung cancer cells.

Journal: Bioorganic & medicinal chemistry 20070601

Title: Acid- and base-catalyzed hydrolysis of chloroacetamide herbicides.

Journal: Journal of agricultural and food chemistry 20060628

Title: Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12.

Journal: Journal of molecular biology 20040820

Title: Synthesis and application of methyleneoxy pseudodipeptide building blocks in biologically active peptides.

Journal: Amino acids 20040801

Title: Novel 6-hydroxy-3-morpholinones as cornea permeable calpain inhibitors.

Journal: Bioorganic & medicinal chemistry 20031201

Title: N-Arylated pyrrolidin-2-ones and morpholin-3-ones as potassium channel openers.

Journal: Bioorganic & medicinal chemistry 20021001

Title: Conformations and receptor activity of desmopressin analogues, which contain gamma-turn mimetics or a psi[CH(2)O] isostere.

Journal: Journal of medicinal chemistry 20020606

Title: Novel morpholinone-based D-Phe-Pro-Arg mimics as potential thrombin inhibitors: design, synthesis, and X-ray crystal structure of an enzyme inhibitor complex.

Journal: Bioorganic & medicinal chemistry 20020601

Title: In vitro inhibition studies of phytoene desaturase by bleaching ketomorpholine derivatives.

Journal: Journal of agricultural and food chemistry 20010101

Quotation Request
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Additional Info:
SDS
Tags:109-11-5 Molecular Formula|109-11-5 MDL|109-11-5 SMILES|109-11-5 Morpholin-3-one
Catalog No.: AA003JJF
109-11-5,MFCD00631009
109-11-5 | Morpholin-3-one
Pack Size: 5g
Purity: >97%
in stock
$13.00 $9.00
Pack Size: 10g
Purity: >97%
in stock
$16.00 $11.00
Pack Size: 25g
Purity: >97%
in stock
$31.00 $22.00
Pack Size: 50g
Purity: 95%
in stock
$54.00 $38.00
Pack Size: 100g
Purity: 95%
in stock
$87.00 $61.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003JJF
Chemical Name: Morpholin-3-one
CAS Number: 109-11-5
Molecular Formula: C4H7NO2
Molecular Weight: 101.1039
MDL Number: MFCD00631009
SMILES: O=C1COCCN1
NSC Number: 11688
Properties
BP: 313°C at 760 mmHg  
Form: Solid  
MP: 103.0 to 107.0 °C  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 81.8  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.8  
Upstream Synthesis Route
141-43-5    105-39-5    109-11-5 

[1]Tetrahedron,2015,vol.71,#37,p.6349-6353

[2]Patent:CN104513239,2017,B,.Locationinpatent:Paragraph0197;0238;0249;0250

[3]ChemicalCommunications,2012,vol.48,#1,p.145-147

[4]Patent:US5002937,1991,A,

[5]Patent:WO2006/63113,2006,A2,.Locationinpatent:Page/Pagecolumn98-99

[6]Patent:WO2006/63293,2006,A2,.Locationinpatent:Page/Pagecolumn43

[7]Patent:JP2015/13809,2015,A,.Locationinpatent:Paragraph0097

6320-16-7    109-11-5 

[1]Patent:US2011/306599,2011,A1,.Locationinpatent:Page/Pagecolumn35

75-39-8    105-39-5    109-11-5 

[1]Patent:WO2006/55951,2006,A2,.Locationinpatent:Page/Pagecolumn44

1366074-90-9    109-11-5 

[1]BulletinoftheKoreanChemicalSociety,2012,vol.33,#2,p.739-741

[2]BulletinoftheKoreanChemicalSociety,2012,vol.33,#1,p.333-336

105-39-5    109-11-5 

[1]Patent:US2007/259924,2007,A1,.Locationinpatent:Page/Pagecolumn24

Downstream Synthesis Route
109-11-5    77-78-1    18596-80-0 

[1]Patent:WO2006/72350,2006,A1.Locationinpatent:Page/Pagecolumn36

[2]Patent:WO2006/72353,2006,A1.Locationinpatent:Page/Pagecolumn29

[3]BulletindelaSocieteChimiquedeFrance,1956,p.1210

[4]ChemischeBerichte,1968,vol.101,p.1979-1986

[5]Patent:US6344453,2002,B1.Locationinpatent:Pagecolumn7

7397-62-8   
aziridiniumtetrafluoroborate 
  109-11-5 

[1]AngewandteChemie,1967,vol.79,p.188

109-11-5    24424-99-5    142929-48-4 

[1]JournalofHeterocyclicChemistry,2019,vol.56,p.2068-2073

[2]Patent:WO2021/102204,2021,A1.Locationinpatent:Paragraph00290

[3]Patent:WO2013/49719,2013,A1.Locationinpatent:Paragraph00197

[4]Patent:WO2017/12576,2017,A1.Locationinpatent:Page/Pagecolumn177

[5]JournalofMedicinalChemistry,1992,vol.35,p.2928-2938

[6]JournalofMedicinalChemistry,2021,vol.64,p.10286-10296

109-11-5    945559-61-5   
5-chloro-thiophene-2-carboxylicacid-N-({1-4-(3-oxo-morpholin-4-yl)-phenyl-1H-imidazol-4-yl}-methyl)-amide 

[1]Patent:US2007/259924,2007,A1.Locationinpatent:Page/Pagecolumn24-25

109-11-5    2363-16-8    864296-47-9 

[1]Patent:US2005/203078,2005,A1.Locationinpatent:Page/Pagecolumn50

[2]Patent:WO2005/82895,2005,A1.Locationinpatent:Page/Pagecolumn127-128

Literature fold

Title: Remodelling of the natural product fumagillol employing a reaction discovery approach.

Journal: Nature chemistry20111201

Title: 4-(3-Fluoro-4-nitro-phen-yl)morpholin-3-one.

Journal: Acta crystallographica. Section E, Structure reports online20110601

Title: Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.

Journal: Bioorganic & medicinal chemistry letters20110315

Title: Metabolism and excretion of rivaroxaban, an oral, direct factor Xa inhibitor, in rats, dogs, and humans.

Journal: Drug metabolism and disposition: the biological fate of chemicals20090501

Title: In vitro metabolism of rivaroxaban, an oral, direct factor Xa inhibitor, in liver microsomes and hepatocytes of rats, dogs, and humans.

Journal: Drug metabolism and disposition: the biological fate of chemicals20090501

Title: Morpholinone mediated oxazolone-free C-terminus amide coupling permitting a convergent strategy for peptide synthesis.

Journal: Journal of peptide science : an official publication of the European Peptide Society20090101

Title: Novel morpholin-3-one derivatives induced apoptosis and elevated the level of P53 and Fas in A549 lung cancer cells.

Journal: Bioorganic & medicinal chemistry20070601

Title: Acid- and base-catalyzed hydrolysis of chloroacetamide herbicides.

Journal: Journal of agricultural and food chemistry20060628

Title: Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12.

Journal: Journal of molecular biology20040820

Title: Synthesis and application of methyleneoxy pseudodipeptide building blocks in biologically active peptides.

Journal: Amino acids20040801

Title: Novel 6-hydroxy-3-morpholinones as cornea permeable calpain inhibitors.

Journal: Bioorganic & medicinal chemistry20031201

Title: N-Arylated pyrrolidin-2-ones and morpholin-3-ones as potassium channel openers.

Journal: Bioorganic & medicinal chemistry20021001

Title: Conformations and receptor activity of desmopressin analogues, which contain gamma-turn mimetics or a psi[CH(2)O] isostere.

Journal: Journal of medicinal chemistry20020606

Title: Novel morpholinone-based D-Phe-Pro-Arg mimics as potential thrombin inhibitors: design, synthesis, and X-ray crystal structure of an enzyme inhibitor complex.

Journal: Bioorganic & medicinal chemistry20020601

Title: In vitro inhibition studies of phytoene desaturase by bleaching ketomorpholine derivatives.

Journal: Journal of agricultural and food chemistry20010101

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