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6827-40-3,MFCD00018786
Catalog No.:AA00FHER

6827-40-3 | Diethyl 2-(4-chlorobenzylidene)malonate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>90%
1 week  
$299.00   $209.00
- +
5mg
>90%
1 week  
$319.00   $223.00
- +
10mg
>90%
1 week  
$358.00   $250.00
- +
500mg
>90%
1 week  
$1,087.00   $761.00
- +
1g
>90%
1 week  
$1,960.00   $1,372.00
- +
5g
>90%
1 week  
$7,194.00   $5,036.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00FHER
Chemical Name:
Diethyl 2-(4-chlorobenzylidene)malonate
CAS Number:
6827-40-3
Molecular Formula:
C14H15ClO4
Molecular Weight:
282.7195
MDL Number:
MFCD00018786
SMILES:
CCOC(=O)C(=Cc1ccc(cc1)Cl)C(=O)OCC
NSC Number:
165832
Properties
Computed Properties
 
Complexity:
323  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4  

Downstream Synthesis Route

[1]Grouiller;Nioche;Barailler;etal.[EuropeanJournalofMedicinalChemistry,1980,vol.15,#2,p.139-146]

[1]Locationinpatent:experimentalpartHe,Xianran;Qiu,Guanpeng;Yang,Jin;Xiao,Yuling;Wu,Zhongyuan;Qiu,Guofu;Hu,Xianming[EuropeanJournalofMedicinalChemistry,2010,vol.45,#9,p.3818-3830]

[2]Fraser,William;Suckling,ColinJ.;Wood,HamishC.S.[JournaloftheChemicalSociety.PerkintransactionsI,1990,#11,p.3137-3144]

[3]Taily,IrshadMaajid;Saha,Debarshi;Banerjee,Prabal[EuropeanJournalofOrganicChemistry,2019,vol.2019,#48,p.7804-7813]

6827-40-3    19481-82-4   
C17H20O4NCl 

[1]Bentz,Emilie;Moloney,MarkG.;Westaway,SusanM.[Synlett,2007,#5,p.733-736]

6827-40-3    1314538-55-0   
diethyl2-(2-((tert-butoxycarbonyl)amino)-1-(4-chlorophenyl)ethyl)malonate 

[1]AdvancedSynthesisandCatalysis,2014,vol.356,p.2749-2755

Literature
Quotation Request
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SDS
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Tags:6827-40-3 Molecular Formula|6827-40-3 MDL|6827-40-3 SMILES|6827-40-3 Diethyl 2-(4-chlorobenzylidene)malonate
Catalog No.: AA00FHER
6827-40-3,MFCD00018786
6827-40-3 | Diethyl 2-(4-chlorobenzylidene)malonate
Pack Size： 1mg
Purity： >90%
1 week
$299.00 $209.00
Pack Size： 5mg
Purity： >90%
1 week
$319.00 $223.00
Pack Size： 10mg
Purity： >90%
1 week
$358.00 $250.00
Pack Size： 500mg
Purity： >90%
1 week
$1,087.00 $761.00
Pack Size： 1g
Purity： >90%
1 week
$1,960.00 $1,372.00
Pack Size： 5g
Purity： >90%
1 week
$7,194.00 $5,036.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00FHER
Chemical Name: Diethyl 2-(4-chlorobenzylidene)malonate
CAS Number: 6827-40-3
Molecular Formula: C14H15ClO4
Molecular Weight: 282.7195
MDL Number: MFCD00018786
SMILES: CCOC(=O)C(=Cc1ccc(cc1)Cl)C(=O)OCC
NSC Number: 165832
Properties
Complexity: 323  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4  
Downstream Synthesis Route
1030268-24-6    6827-40-3    74444-83-0 

[1]Grouiller;Nioche;Barailler;etal.[EuropeanJournalofMedicinalChemistry,1980,vol.15,#2,p.139-146]

6827-40-3    1774-47-6    74444-83-0 

[1]Locationinpatent:experimentalpartHe,Xianran;Qiu,Guanpeng;Yang,Jin;Xiao,Yuling;Wu,Zhongyuan;Qiu,Guofu;Hu,Xianming[EuropeanJournalofMedicinalChemistry,2010,vol.45,#9,p.3818-3830]

[2]Fraser,William;Suckling,ColinJ.;Wood,HamishC.S.[JournaloftheChemicalSociety.PerkintransactionsI,1990,#11,p.3137-3144]

[3]Taily,IrshadMaajid;Saha,Debarshi;Banerjee,Prabal[EuropeanJournalofOrganicChemistry,2019,vol.2019,#48,p.7804-7813]

6827-40-3    19481-82-4   
C17H20O4NCl 

[1]Bentz,Emilie;Moloney,MarkG.;Westaway,SusanM.[Synlett,2007,#5,p.733-736]

6827-40-3    1314538-55-0   
diethyl2-(2-((tert-butoxycarbonyl)amino)-1-(4-chlorophenyl)ethyl)malonate 

[1]AdvancedSynthesisandCatalysis,2014,vol.356,p.2749-2755

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