744212-68-8,MFCD18651683
Catalog No.:AA00FJX7

744212-68-8 | 1-Benzyl-5-(hydroxymethyl)piperidin-2-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$128.00   $90.00
- +
1g
95%
in stock  
$239.00   $168.00
- +
5g
95%
in stock  
$903.00   $632.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00FJX7
Chemical Name:
1-Benzyl-5-(hydroxymethyl)piperidin-2-one
CAS Number:
744212-68-8
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD18651683
SMILES:
C1CC(=O)N(CC1CO)CC2=CC=CC=C2
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:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

Upstream Synthesis Route

[1]Chemistry-AEuropeanJournal,2006,vol.12,#32,p.8208-8219

[2]AminoAcids,2013,vol.44,#2,p.511-518

[3]Patent:WO2017/100776,2017,A1,.Locationinpatent:Paragraph0143;0145

[4]Patent:WO2018/160889,2018,A1,.Locationinpatent:Page/Pagecolumn453;454

[5]OrganicandBiomolecularChemistry,2004,vol.2,#13,p.1825-1826

[1]Tetrahedron,2014,vol.70,#40,p.7207-7220

[1]JournaloftheAmericanChemicalSociety,2002,vol.124,#50,p.14826-14827

[2]OrganicandBiomolecularChemistry,2004,vol.2,#13,p.1825-1826

[3]AminoAcids,2013,vol.44,#2,p.511-518

[4]Patent:WO2017/100776,2017,A1,

[5]Patent:WO2018/160889,2018,A1,

[1]OrganicandBiomolecularChemistry,2004,vol.2,#13,p.1825-1826

[1]AminoAcids,2013,vol.44,#2,p.511-518

[2]Patent:WO2017/100776,2017,A1,

[3]Patent:WO2018/160889,2018,A1,

Downstream Synthesis Route

[1]Chemistry-AEuropeanJournal,2006,vol.12,p.8208-8219

[2]AminoAcids,2013,vol.44,p.511-518

[3]Patent:WO2017/100776,2017,A1.Locationinpatent:Paragraph0143;0145

[4]Patent:WO2018/160889,2018,A1.Locationinpatent:Page/Pagecolumn453;454

[5]OrganicandBiomolecularChemistry,2004,vol.2,p.1825-1826

[1]OrganicandBiomolecularChemistry,2004,vol.2,p.1825-1826

[1]JournaloftheAmericanChemicalSociety,2002,vol.124,p.14826-14827

[2]OrganicandBiomolecularChemistry,2004,vol.2,p.1825-1826

[3]AminoAcids,2013,vol.44,p.511-518

[4]Patent:WO2017/100776,2017,A1

[5]Patent:WO2018/160889,2018,A1

[1]Chemistry-AEuropeanJournal,2006,vol.12,p.8208-8219

[2]JournaloftheAmericanChemicalSociety,2002,vol.124,p.14826-14827

[1]Chemistry-AEuropeanJournal,2006,vol.12,p.8208-8219

[2]JournaloftheAmericanChemicalSociety,2002,vol.124,p.14826-14827

Literature
Quotation Request
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Additional Info:
SDS
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Tags:744212-68-8 Molecular Formula|744212-68-8 MDL|744212-68-8 SMILES|744212-68-8 1-Benzyl-5-(hydroxymethyl)piperidin-2-one
Catalog No.: AA00FJX7
744212-68-8,MFCD18651683
744212-68-8 | 1-Benzyl-5-(hydroxymethyl)piperidin-2-one
Pack Size: 250mg
Purity: 95%
in stock
$128.00 $90.00
Pack Size: 1g
Purity: 95%
in stock
$239.00 $168.00
Pack Size: 5g
Purity: 95%
in stock
$903.00 $632.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00FJX7
Chemical Name: 1-Benzyl-5-(hydroxymethyl)piperidin-2-one
CAS Number: 744212-68-8
Molecular Formula: C13H17NO2
Molecular Weight: 219.2796
MDL Number: MFCD18651683
SMILES: C1CC(=O)N(CC1CO)CC2=CC=CC=C2
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: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
Upstream Synthesis Route
156779-11-2    744212-68-8 

[1]Chemistry-AEuropeanJournal,2006,vol.12,#32,p.8208-8219

[2]AminoAcids,2013,vol.44,#2,p.511-518

[3]Patent:WO2017/100776,2017,A1,.Locationinpatent:Paragraph0143;0145

[4]Patent:WO2018/160889,2018,A1,.Locationinpatent:Page/Pagecolumn453;454

[5]OrganicandBiomolecularChemistry,2004,vol.2,#13,p.1825-1826

201294-65-7    744212-68-8 

[1]Tetrahedron,2014,vol.70,#40,p.7207-7220

156779-10-1    744212-68-8 

[1]JournaloftheAmericanChemicalSociety,2002,vol.124,#50,p.14826-14827

[2]OrganicandBiomolecularChemistry,2004,vol.2,#13,p.1825-1826

[3]AminoAcids,2013,vol.44,#2,p.511-518

[4]Patent:WO2017/100776,2017,A1,

[5]Patent:WO2018/160889,2018,A1,

14376-92-2    744212-68-8 

[1]OrganicandBiomolecularChemistry,2004,vol.2,#13,p.1825-1826

100-46-9    744212-68-8 

[1]AminoAcids,2013,vol.44,#2,p.511-518

[2]Patent:WO2017/100776,2017,A1,

[3]Patent:WO2018/160889,2018,A1,

Downstream Synthesis Route
156779-11-2    744212-68-8 

[1]Chemistry-AEuropeanJournal,2006,vol.12,p.8208-8219

[2]AminoAcids,2013,vol.44,p.511-518

[3]Patent:WO2017/100776,2017,A1.Locationinpatent:Paragraph0143;0145

[4]Patent:WO2018/160889,2018,A1.Locationinpatent:Page/Pagecolumn453;454

[5]OrganicandBiomolecularChemistry,2004,vol.2,p.1825-1826

744212-68-8    744212-58-6 

[1]OrganicandBiomolecularChemistry,2004,vol.2,p.1825-1826

156779-10-1    744212-68-8 

[1]JournaloftheAmericanChemicalSociety,2002,vol.124,p.14826-14827

[2]OrganicandBiomolecularChemistry,2004,vol.2,p.1825-1826

[3]AminoAcids,2013,vol.44,p.511-518

[4]Patent:WO2017/100776,2017,A1

[5]Patent:WO2018/160889,2018,A1

744212-68-8    146059-77-0 

[1]Chemistry-AEuropeanJournal,2006,vol.12,p.8208-8219

[2]JournaloftheAmericanChemicalSociety,2002,vol.124,p.14826-14827

744212-68-8    919537-30-7 

[1]Chemistry-AEuropeanJournal,2006,vol.12,p.8208-8219

[2]JournaloftheAmericanChemicalSociety,2002,vol.124,p.14826-14827

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