53911-68-5,MFCD00190250
Catalog No.:AA00D80R

53911-68-5 | 2H-Pyran-2,6(3H)-dione, 4-(4-chlorophenyl)dihydro-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$28.00   $19.00
- +
1g
96%
in stock  
$57.00   $40.00
- +
5g
96%
in stock  
$252.00   $177.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D80R
Chemical Name:
2H-Pyran-2,6(3H)-dione, 4-(4-chlorophenyl)dihydro-
CAS Number:
53911-68-5
Molecular Formula:
C11H9ClO3
Molecular Weight:
224.6404
MDL Number:
MFCD00190250
SMILES:
O=C1CC(CC(=O)O1)c1ccc(cc1)Cl
Properties
Properties
 
BP:
393.2°C at 760 mmHg  
Form:
Solid  
MP:
128-130°C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
253  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
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:
1.9  

Downstream Synthesis Route

[1]Patent:US2792418,1954,

[1]JournalofMedicinalChemistry,2011,vol.54,p.6714-6723

[2]JournalofMedicinalChemistry,2001,vol.44,p.1938-1950

[3]Patent:US2792418,1954,

[4]TetrahedronAsymmetry,2005,vol.16,p.2475-2485

[5]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.845-849

[6]Patent:WO2010/43711,2010,A1.Locationinpatent:Page/Pagecolumn52

[7]AdvancedSynthesisandCatalysis,2010,vol.352,p.2211-2217

[8]Patent:US2012/46307,2012,A1.Locationinpatent:Page/Pagecolumn25

[9]MedChemComm,2015,vol.6,p.671-676

[1]TetrahedronAsymmetry,2005,vol.16,p.2475-2485

[2]RecueildesTravauxChimiquesdesPays-Bas,1965,vol.84,p.1183-1199

[1]Arzneimittel-Forschung/DrugResearch,1967,vol.17,p.1145-1149

[1]JournalofMedicinalChemistry,2001,vol.44,p.1938-1950

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:53911-68-5 Molecular Formula|53911-68-5 MDL|53911-68-5 SMILES|53911-68-5 2H-Pyran-2,6(3H)-dione, 4-(4-chlorophenyl)dihydro-
Catalog No.: AA00D80R
53911-68-5,MFCD00190250
53911-68-5 | 2H-Pyran-2,6(3H)-dione, 4-(4-chlorophenyl)dihydro-
Pack Size: 250mg
Purity: 96%
in stock
$28.00 $19.00
Pack Size: 1g
Purity: 96%
in stock
$57.00 $40.00
Pack Size: 5g
Purity: 96%
in stock
$252.00 $177.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00D80R
Chemical Name: 2H-Pyran-2,6(3H)-dione, 4-(4-chlorophenyl)dihydro-
CAS Number: 53911-68-5
Molecular Formula: C11H9ClO3
Molecular Weight: 224.6404
MDL Number: MFCD00190250
SMILES: O=C1CC(CC(=O)O1)c1ccc(cc1)Cl
Properties
BP: 393.2°C at 760 mmHg  
Form: Solid  
MP: 128-130°C  
Storage: Inert atmosphere;2-8℃;  
Complexity: 253  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
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: 1.9  
Downstream Synthesis Route
53911-68-5    151-10-0    108369-65-9 

[1]Patent:US2792418,1954,

35271-74-0    53911-68-5 

[1]JournalofMedicinalChemistry,2011,vol.54,p.6714-6723

[2]JournalofMedicinalChemistry,2001,vol.44,p.1938-1950

[3]Patent:US2792418,1954,

[4]TetrahedronAsymmetry,2005,vol.16,p.2475-2485

[5]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.845-849

[6]Patent:WO2010/43711,2010,A1.Locationinpatent:Page/Pagecolumn52

[7]AdvancedSynthesisandCatalysis,2010,vol.352,p.2211-2217

[8]Patent:US2012/46307,2012,A1.Locationinpatent:Page/Pagecolumn25

[9]MedChemComm,2015,vol.6,p.671-676

67-56-1    53911-68-5    5045-65-8 

[1]TetrahedronAsymmetry,2005,vol.16,p.2475-2485

[2]RecueildesTravauxChimiquesdesPays-Bas,1965,vol.84,p.1183-1199

53911-68-5    120-20-7    94760-33-5 

[1]Arzneimittel-Forschung/DrugResearch,1967,vol.17,p.1145-1149

53911-68-5    35661-51-9    348110-33-8 

[1]JournalofMedicinalChemistry,2001,vol.44,p.1938-1950

Building Blocks More >
511272-48-3
511272-48-3
Fmoc-(r)-3-amino-3-(2-naphthyl)-propionic acid
AA00D86S | MFCD03428029
536693-95-5
536693-95-5
2-Chloro-6-methylpyridine-3-boronic acid
AA00D8BU | MFCD03411563
465514-37-8
465514-37-8
[1-(4-Fluorophenyl)-5-methyl-1h-pyrazol-4-yl]methanol
AA00D8FQ | MFCD03644148
55579-71-0
55579-71-0
5-(3-Chlorophenyl)cyclohexane-1,3-dione
AA00D8L5 | MFCD00111880
4664-55-5
4664-55-5
2-Phenoxyacetohydrazide
AA00D8RZ | MFCD00297030
51938-17-1
51938-17-1
N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID, METHYL ESTER
AA00D8XF | MFCD01320440
5331-42-0
5331-42-0
2-Cyano-3-phenylpropionic acid
AA00D934 | MFCD00205073
4497-04-5
4497-04-5
3-Morpholin-4-yl-propionic acid
AA00D9A5 | MFCD02089311
470463-41-3
470463-41-3
(5-Trimethylsilanylethynyl-pyridin-2-yl)-carbamic acid tert-butyl ester
AA00D9GI | MFCD04039865
56189-68-5
56189-68-5
3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-ALPHA,ALPHA-DIMETHYLBENZENEPROPANAL
AA00D9O1 | MFCD04040029
Submit
© 2017 AA BLOCKS, INC. All rights reserved.