40542-90-3,MFCD00441728
Catalog No.:AA0076JL

40542-90-3 | Adipic acid monobenzyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$32.00   $23.00
- +
5g
97%
in stock  
$79.00   $55.00
- +
25g
97%
in stock  
$319.00   $224.00
- +
100g
97%
in stock  
$1,208.00 $846.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0076JL
Chemical Name:
Adipic acid monobenzyl ester
CAS Number:
40542-90-3
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
MDL Number:
MFCD00441728
SMILES:
OC(=O)CCCCC(=O)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
244  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Downstream Synthesis Route

[1]English;Girard;Jasys;Martingano;Kellogg[JournalofMedicinalChemistry,1990,vol.33,#1,p.344-347]

[2]Locationinpatent:experimentalpartKar,Nilanjana;Liu,Haoyu;Edgar,KevinJ.[Biomacromolecules,2011,vol.12,#4,p.1106-1115]

[3]CurrentPatentAssignee:HOWARDFLOREYINSTITUTEAU-WO2006/94357,2006,A1Locationinpatent:Page/Pagecolumn25;4/19

[4]CurrentPatentAssignee:ARMARONBIO-WO2014/56038,2014,A1Locationinpatent:Paragraph123;156-157

[5]Matson,JohnB.;Stupp,SamuelI.[ChemicalCommunications,2011,vol.47,#28,p.7962-7964]

[6]Freidlin,G.N.etal.[JournalofgeneralchemistryoftheUSSR,1963,vol.33,p.919-922][ZhurnalObshcheiKhimii,1963,vol.33,p.934-938]

[7]Mondal,Tanmay;Mandal,Bhubaneswar[ChemicalCommunications,2019,vol.55,#34,p.4933-4936]

[8]Gan,Zhihua;Gu,Xinggui;Li,Lin;Liu,Kunpeng;Tang,Jin;Xu,Fu-Jian;Yang,Chunyu;Yu,Hao;Yu,Qingsong;Zheng,Ziyan;Zhu,Xianqi[Biomaterials,2022,vol.280]

40542-90-3    144840-97-1   
C119H114O30 

[1]Hawker,CraigJ.;Frechet,JeanM.J.[JournaloftheChemicalSociety.PerkintransactionsI,1992,#19,p.2459-2470]

40542-90-3   
6-O-benzyloxycarbonyl-2-deoxy-2-(2,2-difluorotetradecanamido)-4-O-(diphenylphosphoryl)-3-O-<(R)-3-(tetradecanoyloxy)tetradecanoyl>-D-glucopyranose 
 
1-O-<5-(benzyloxycarbonyl)pentanoyl>-6-O-benzyloxycarbonyl-2-deoxy-2-(2,2-difluorotetradecanamido)-4-O-(diphenylphosphoryl)-3-O-<(R)-3-(tetradecanoyloxy)tetradecanoyl>-α-D-glucopyranose 

[1]Shiozaki;Miyazaki;Arai;Hiraoka;Kurakata;Tatsuta;Ogawa;Nishijima;Akamatsu[Bioscience,BiotechnologyandBiochemistry,1995,vol.59,#3,p.501-506]

[1]Wellmar;Hornfeldt;Gronowitz;Johansson[NucleosidesandNucleotides,1996,vol.15,#5,p.1059-1076]

[2]Locationinpatent:experimentalpartEricBallard;Richards,JustinJ.;Wolfe,AmandaL.;Melander,Christian[Chemistry-AEuropeanJournal,2008,vol.14,#34,p.10745-10761]

[3]Locationinpatent:experimentalpartQian,Shan;Li,Haijiao;Chen,Yin;Zhang,Weiyu;Yang,Shengyong;Wu,Yong[JournalofNaturalProducts,2010,vol.73,#11,p.1743-1750]

[4]Locationinpatent:experimentalpartKar,Nilanjana;Liu,Haoyu;Edgar,KevinJ.[Biomacromolecules,2011,vol.12,#4,p.1106-1115]

[5]CurrentPatentAssignee:SANOFI-WO2022/84331,2022,A2Locationinpatent:Paragraph0389;0396

[1]Matt,Christophe;Wagner,Alain;Mioskowski,Charles[JournalofOrganicChemistry,1997,vol.62,#2,p.234-235]

[2]CurrentPatentAssignee:SANOFI-WO2022/84331,2022,A2Locationinpatent:Paragraph0389;0395

Literature
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Additional Info:
SDS
Tags:40542-90-3 Molecular Formula|40542-90-3 MDL|40542-90-3 SMILES|40542-90-3 Adipic acid monobenzyl ester
Catalog No.: AA0076JL
40542-90-3,MFCD00441728
40542-90-3 | Adipic acid monobenzyl ester
Pack Size: 1g
Purity: 97%
in stock
$32.00 $23.00
Pack Size: 5g
Purity: 97%
in stock
$79.00 $55.00
Pack Size: 25g
Purity: 97%
in stock
$319.00 $224.00
Pack Size: 100g
Purity: 97%
in stock
$1,208.00 $846.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0076JL
Chemical Name: Adipic acid monobenzyl ester
CAS Number: 40542-90-3
Molecular Formula: C13H16O4
Molecular Weight: 236.2637
MDL Number: MFCD00441728
SMILES: OC(=O)CCCCC(=O)OCc1ccccc1
Properties
Complexity: 244  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Downstream Synthesis Route
124-04-9    100-51-6    40542-90-3 

[1]English;Girard;Jasys;Martingano;Kellogg[JournalofMedicinalChemistry,1990,vol.33,#1,p.344-347]

[2]Locationinpatent:experimentalpartKar,Nilanjana;Liu,Haoyu;Edgar,KevinJ.[Biomacromolecules,2011,vol.12,#4,p.1106-1115]

[3]CurrentPatentAssignee:HOWARDFLOREYINSTITUTEAU-WO2006/94357,2006,A1Locationinpatent:Page/Pagecolumn25;4/19

[4]CurrentPatentAssignee:ARMARONBIO-WO2014/56038,2014,A1Locationinpatent:Paragraph123;156-157

[5]Matson,JohnB.;Stupp,SamuelI.[ChemicalCommunications,2011,vol.47,#28,p.7962-7964]

[6]Freidlin,G.N.etal.[JournalofgeneralchemistryoftheUSSR,1963,vol.33,p.919-922][ZhurnalObshcheiKhimii,1963,vol.33,p.934-938]

[7]Mondal,Tanmay;Mandal,Bhubaneswar[ChemicalCommunications,2019,vol.55,#34,p.4933-4936]

[8]Gan,Zhihua;Gu,Xinggui;Li,Lin;Liu,Kunpeng;Tang,Jin;Xu,Fu-Jian;Yang,Chunyu;Yu,Hao;Yu,Qingsong;Zheng,Ziyan;Zhu,Xianqi[Biomaterials,2022,vol.280]

40542-90-3    144840-97-1   
C119H114O30 

[1]Hawker,CraigJ.;Frechet,JeanM.J.[JournaloftheChemicalSociety.PerkintransactionsI,1992,#19,p.2459-2470]

40542-90-3   
6-O-benzyloxycarbonyl-2-deoxy-2-(2,2-difluorotetradecanamido)-4-O-(diphenylphosphoryl)-3-O-<(R)-3-(tetradecanoyloxy)tetradecanoyl>-D-glucopyranose 
 
1-O-<5-(benzyloxycarbonyl)pentanoyl>-6-O-benzyloxycarbonyl-2-deoxy-2-(2,2-difluorotetradecanamido)-4-O-(diphenylphosphoryl)-3-O-<(R)-3-(tetradecanoyloxy)tetradecanoyl>-α-D-glucopyranose 

[1]Shiozaki;Miyazaki;Arai;Hiraoka;Kurakata;Tatsuta;Ogawa;Nishijima;Akamatsu[Bioscience,BiotechnologyandBiochemistry,1995,vol.59,#3,p.501-506]

40542-90-3    67852-86-2 

[1]Wellmar;Hornfeldt;Gronowitz;Johansson[NucleosidesandNucleotides,1996,vol.15,#5,p.1059-1076]

[2]Locationinpatent:experimentalpartEricBallard;Richards,JustinJ.;Wolfe,AmandaL.;Melander,Christian[Chemistry-AEuropeanJournal,2008,vol.14,#34,p.10745-10761]

[3]Locationinpatent:experimentalpartQian,Shan;Li,Haijiao;Chen,Yin;Zhang,Weiyu;Yang,Shengyong;Wu,Yong[JournalofNaturalProducts,2010,vol.73,#11,p.1743-1750]

[4]Locationinpatent:experimentalpartKar,Nilanjana;Liu,Haoyu;Edgar,KevinJ.[Biomacromolecules,2011,vol.12,#4,p.1106-1115]

[5]CurrentPatentAssignee:SANOFI-WO2022/84331,2022,A2Locationinpatent:Paragraph0389;0396

78277-26-6    40542-90-3 

[1]Matt,Christophe;Wagner,Alain;Mioskowski,Charles[JournalofOrganicChemistry,1997,vol.62,#2,p.234-235]

[2]CurrentPatentAssignee:SANOFI-WO2022/84331,2022,A2Locationinpatent:Paragraph0389;0395

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