17145-91-4,MFCD00041347
Catalog No.:AA003UYV

17145-91-4 | Triethyl 2-phosphonobutyrate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$12.00   $8.00
- +
5g
98%
in stock  
$34.00   $24.00
- +
10g
95%
in stock  
$44.00   $31.00
- +
50g
95%
in stock  
$219.00   $153.00
- +
100g
95%
in stock  
$385.00   $270.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003UYV
Chemical Name:
Triethyl 2-phosphonobutyrate
CAS Number:
17145-91-4
Molecular Formula:
C10H21O5P
Molecular Weight:
252.2445
MDL Number:
MFCD00041347
SMILES:
CCOC(=O)C(P(=O)(OCC)OCC)CC
NSC Number:
22423
Properties
Properties
 
Form:
Liquid  
Storage:
Keep in dry area;Room Temperature;  

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:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.4  

Downstream Synthesis Route

[1]Magalhães,Joana;Annunziato,Giannamaria;Franko,Nina;Pieroni,Marco;Campanini,Barbara;Bruno,Agostino;Costantino,Gabriele[JournalofChemicalInformationandModeling,2018,vol.58,#3,p.710-723]

[2]Nakano;Atsuumi;Koike;Tanaka;Funabashi;Hashimoto;Ohkubo;Morishima[BulletinoftheChemicalSocietyofJapan,1990,vol.63,#8,p.2224-2232]

[3]Nakazato,Atsuro;Kumagai,Toshihito;Ohta,Kohmei;Chaki,Shigeyuki;Okuyama,Shigeru;Tomisawa,Kazuyuki[JournalofMedicinalChemistry,1999,vol.42,#19,p.3965-3970]

[4]Pieroni,Marco;Annunziato,Giannamaria;Azzali,Elisa;Dessanti,Paola;Mercurio,Ciro;Meroni,Giuseppe;Trifiró,Paolo;Vianello,Paola;Villa,Manuela;Beato,Claudia;Varasi,Mario;Costantino,Gabriele[EuropeanJournalofMedicinalChemistry,2015,vol.92,p.377-386]

[5]Pieroni,Marco;Annunziato,Giannamaria;Beato,Claudia;Wouters,Randy;Benoni,Roberto;Campanini,Barbara;Pertinhez,ThelmaA.;Bettati,Stefano;Mozzarelli,Andrea;Costantino,Gabriele[JournalofMedicinalChemistry,2016,vol.59,#6,p.2567-2578]

[1]Nakano;Atsuumi;Koike;Tanaka;Funabashi;Hashimoto;Ohkubo;Morishima[BulletinoftheChemicalSocietyofJapan,1990,vol.63,#8,p.2224-2232]

[1]Petroski;Weisleder[SyntheticCommunications,2001,vol.31,#1,p.89-95]

[1]Petroski;Weisleder[SyntheticCommunications,2001,vol.31,#1,p.89-95]

17145-91-4    623-36-9   
ethyl(4E)-2-ethyl-4-methyl-2,4-heptadienoate 

[1]Petroski;Weisleder[SyntheticCommunications,2001,vol.31,#1,p.89-95]

Literature
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Additional Info:
SDS
Tags:17145-91-4 Molecular Formula|17145-91-4 MDL|17145-91-4 SMILES|17145-91-4 Triethyl 2-phosphonobutyrate
Catalog No.: AA003UYV
17145-91-4,MFCD00041347
17145-91-4 | Triethyl 2-phosphonobutyrate
Pack Size: 1g
Purity: 98%
in stock
$12.00 $8.00
Pack Size: 5g
Purity: 98%
in stock
$34.00 $24.00
Pack Size: 10g
Purity: 95%
in stock
$44.00 $31.00
Pack Size: 50g
Purity: 95%
in stock
$219.00 $153.00
Pack Size: 100g
Purity: 95%
in stock
$385.00 $270.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003UYV
Chemical Name: Triethyl 2-phosphonobutyrate
CAS Number: 17145-91-4
Molecular Formula: C10H21O5P
Molecular Weight: 252.2445
MDL Number: MFCD00041347
SMILES: CCOC(=O)C(P(=O)(OCC)OCC)CC
NSC Number: 22423
Properties
Form: Liquid  
Storage: Keep in dry area;Room Temperature;  
Complexity: 244  
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: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 9  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.4  
Downstream Synthesis Route
74-96-4    867-13-0    17145-91-4 

[1]Magalhães,Joana;Annunziato,Giannamaria;Franko,Nina;Pieroni,Marco;Campanini,Barbara;Bruno,Agostino;Costantino,Gabriele[JournalofChemicalInformationandModeling,2018,vol.58,#3,p.710-723]

[2]Nakano;Atsuumi;Koike;Tanaka;Funabashi;Hashimoto;Ohkubo;Morishima[BulletinoftheChemicalSocietyofJapan,1990,vol.63,#8,p.2224-2232]

[3]Nakazato,Atsuro;Kumagai,Toshihito;Ohta,Kohmei;Chaki,Shigeyuki;Okuyama,Shigeru;Tomisawa,Kazuyuki[JournalofMedicinalChemistry,1999,vol.42,#19,p.3965-3970]

[4]Pieroni,Marco;Annunziato,Giannamaria;Azzali,Elisa;Dessanti,Paola;Mercurio,Ciro;Meroni,Giuseppe;Trifiró,Paolo;Vianello,Paola;Villa,Manuela;Beato,Claudia;Varasi,Mario;Costantino,Gabriele[EuropeanJournalofMedicinalChemistry,2015,vol.92,p.377-386]

[5]Pieroni,Marco;Annunziato,Giannamaria;Beato,Claudia;Wouters,Randy;Benoni,Roberto;Campanini,Barbara;Pertinhez,ThelmaA.;Bettati,Stefano;Mozzarelli,Andrea;Costantino,Gabriele[JournalofMedicinalChemistry,2016,vol.59,#6,p.2567-2578]

17145-91-4    116993-95-4    130980-99-3 

[1]Nakano;Atsuumi;Koike;Tanaka;Funabashi;Hashimoto;Ohkubo;Morishima[BulletinoftheChemicalSocietyofJapan,1990,vol.63,#8,p.2224-2232]

17145-91-4    100-52-7    54110-97-3 

[1]Petroski;Weisleder[SyntheticCommunications,2001,vol.31,#1,p.89-95]

17145-91-4    123-72-8    28897-60-1 

[1]Petroski;Weisleder[SyntheticCommunications,2001,vol.31,#1,p.89-95]

17145-91-4    623-36-9   
ethyl(4E)-2-ethyl-4-methyl-2,4-heptadienoate 

[1]Petroski;Weisleder[SyntheticCommunications,2001,vol.31,#1,p.89-95]

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