2318-25-4,MFCD00051405
Catalog No.:AA0034S3

2318-25-4 | Ethyl 3-ethoxy-3-iminopropionate, HCl

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Purity
Availability
Price(USD)
Quantity
  
10g
90%
in stock  
$17.00   $12.00
- +
25g
90%
in stock  
$33.00   $23.00
- +
100g
90%
in stock  
$98.00   $68.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0034S3
Chemical Name:
Ethyl 3-ethoxy-3-iminopropionate, HCl
CAS Number:
2318-25-4
Molecular Formula:
C7H14ClNO3
Molecular Weight:
195.6440
MDL Number:
MFCD00051405
SMILES:
CCOC(=N)CC(=O)OCC.Cl
NSC Number:
104122
Properties
Properties
 
BP:
185.7°Cat760mmHg.  
Form:
Solid  
MP:
111-113 °C  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
145  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,2016,vol.59,#13,p.6070-6085

[2]JournalofMedicinalChemistry,2012,vol.55,#7,p.3398-3413

[3]RussianJournalofGeneralChemistry,2001,vol.71,#7,p.1076-1087

[1]RussianJournalofGeneralChemistry,2001,vol.71,#7,p.1076-1087

[2]Patent:WO2013/101974,2013,A1,.Locationinpatent:Paragraph00574;00575;00576;00577

[3]JournalofMedicinalChemistry,2016,vol.59,#13,p.6070-6085

[4]Patent:US9617268,2017,B2,.Locationinpatent:Page/Pagecolumn319

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#23,p.7207-7213

[2]ChemicalandPharmaceuticalBulletin,1985,vol.33,#7,p.3046-3049

[3]Heterocycles,1996,vol.43,#9,p.1981-1989

[4]Tetrahedron,2009,vol.65,#4,p.757-764

[5]Patent:WO2006/7700,2006,A1,.Locationinpatent:Page/Pagecolumn66-67

[6]Patent:US2006/19905,2006,A1,.Locationinpatent:Page/Pagecolumn27

[7]Patent:WO2006/85,2006,A1,.Locationinpatent:Page/Pagecolumn80-81

[8]Patent:WO2007/9227,2007,A1,.Locationinpatent:Page/Pagecolumn36

[9]RussianJournalofGeneralChemistry,2001,vol.71,#7,p.1076-1087

[10]JournalofMedicinalChemistry,2012,vol.55,#7,p.3398-3413

[11]Synthesis(Germany),2016,vol.48,#17,p.2851-2862

[12]Patent:WO2008/6540,2008,A1,.Locationinpatent:Page/Pagecolumn34,53

[13]JournaloftheAmericanChemicalSociety,1945,vol.67,p.1012,1015

[14]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1987,p.1845-1852

[15]JournaloftheAmericanChemicalSociety,1983,vol.105,#12,p.3824-3832

[16]Farmaco,1993,vol.48,#3,p.357-374

[17]ChemicalandPharmaceuticalBulletin,1995,vol.43,#5,p.788-796

[18]ChemicalandPharmaceuticalBulletin,1995,vol.43,#5,p.797-817

[19]Patent:WO2008/33745,2008,A2,.Locationinpatent:Page/Pagecolumn70

[20]Patent:WO2008/51514,2008,A2,.Locationinpatent:Page/Pagecolumn44

[21]Patent:WO2008/57208,2008,A2,.Locationinpatent:Page/Pagecolumn48

[22]Patent:WO2008/33747,2008,A2,.Locationinpatent:Page/Pagecolumn254-255

[23]EuropeanJournalofMedicinalChemistry,2009,vol.44,#3,p.1369-1376

[24]Patent:WO2013/12915,2013,A1,.Locationinpatent:Paragraph00664

[25]JournalofMedicinalChemistry,2014,vol.57,#5,p.1770-1776

[26]Patent:WO2014/205223,2014,A1,.Locationinpatent:Paragraph0149-0150

[27]Synlett,2015,vol.26,#3,p.393-403

[28]LettersinDrugDesignandDiscovery,2014,vol.11,#10,p.1143-1148

[29]NewJournalofChemistry,2017,vol.41,#5,p.1918-1924

[30]Patent:WO2017/189553,2017,A1,.Locationinpatent:Paragraph0341;0342

[1]Patent:WO2015/89327,2015,A1,.Locationinpatent:Paragraph0413

[1]Patent:US5145857,1992,A,

[2]Patent:US3941823,1976,A,

[3]Patent:US2010/183551,2010,A1,

[4]Patent:WO2015/89327,2015,A1,

[5]Polyhedron,2016,vol.106,p.138-143

Downstream Synthesis Route

[1]ChemischeBerichte,1895,vol.28,p.476

[1]ChemischeBerichte,1962,vol.95,p.281-294

[2]JournaloftheAmericanChemicalSociety,1983,vol.105,p.3824-3832

[1]IlFarmaco,1993,vol.48,p.357-374

[2]EuropeanJournalofMedicinalChemistry,2009,vol.44,p.1369-1376

[1]Kiseleva,V.V.;Gakh,A.A.;Fainzil'berg,A.A.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1990,vol.39,#9.2.,p.1888-1895][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1990,vol.39,#9,p.2075-2084]

[2]Ahad,AliMd.;Zuohe,Song;Du-Cuny,Lei;Moses,SylvestorA.;Zhou,LiLi;Zhang,Shuxing;Powis,Garth;Meuillet,EmmanuelleJ.;Mash,EugeneA.[BioorganicandMedicinalChemistry,2011,vol.19,#6,p.2046-2054]

[3]CurrentPatentAssignee:THEUNIVERSITYOFTEXASSYSTEM;ARIZONABOARDOFREGENTS-WO2009/129267,2009,A2Locationinpatent:Page/Pagecolumn88

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1990,vol.39,p.1888-1895    IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1990,vol.39,p.2075-2084

Literature
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Tags:2318-25-4 Molecular Formula|2318-25-4 MDL|2318-25-4 SMILES|2318-25-4 Ethyl 3-ethoxy-3-iminopropionate, HCl
Catalog No.: AA0034S3
2318-25-4,MFCD00051405
2318-25-4 | Ethyl 3-ethoxy-3-iminopropionate, HCl
Pack Size: 10g
Purity: 90%
in stock
$17.00 $12.00
Pack Size: 25g
Purity: 90%
in stock
$33.00 $23.00
Pack Size: 100g
Purity: 90%
in stock
$98.00 $68.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0034S3
Chemical Name: Ethyl 3-ethoxy-3-iminopropionate, HCl
CAS Number: 2318-25-4
Molecular Formula: C7H14ClNO3
Molecular Weight: 195.6440
MDL Number: MFCD00051405
SMILES: CCOC(=N)CC(=O)OCC.Cl
NSC Number: 104122
Properties
BP: 185.7°Cat760mmHg.  
Form: Solid  
MP: 111-113 °C  
Storage: Inert atmosphere;-20 ℃;  
Complexity: 145  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
Upstream Synthesis Route
2318-25-4    95-55-6    16105-44-5 

[1]JournalofMedicinalChemistry,2016,vol.59,#13,p.6070-6085

[2]JournalofMedicinalChemistry,2012,vol.55,#7,p.3398-3413

[3]RussianJournalofGeneralChemistry,2001,vol.71,#7,p.1076-1087

2318-25-4    137-07-5    29182-42-1 

[1]RussianJournalofGeneralChemistry,2001,vol.71,#7,p.1076-1087

[2]Patent:WO2013/101974,2013,A1,.Locationinpatent:Paragraph00574;00575;00576;00577

[3]JournalofMedicinalChemistry,2016,vol.59,#13,p.6070-6085

[4]Patent:US9617268,2017,B2,.Locationinpatent:Page/Pagecolumn319

64-17-5    105-56-6    2318-25-4 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#23,p.7207-7213

[2]ChemicalandPharmaceuticalBulletin,1985,vol.33,#7,p.3046-3049

[3]Heterocycles,1996,vol.43,#9,p.1981-1989

[4]Tetrahedron,2009,vol.65,#4,p.757-764

[5]Patent:WO2006/7700,2006,A1,.Locationinpatent:Page/Pagecolumn66-67

[6]Patent:US2006/19905,2006,A1,.Locationinpatent:Page/Pagecolumn27

[7]Patent:WO2006/85,2006,A1,.Locationinpatent:Page/Pagecolumn80-81

[8]Patent:WO2007/9227,2007,A1,.Locationinpatent:Page/Pagecolumn36

[9]RussianJournalofGeneralChemistry,2001,vol.71,#7,p.1076-1087

[10]JournalofMedicinalChemistry,2012,vol.55,#7,p.3398-3413

[11]Synthesis(Germany),2016,vol.48,#17,p.2851-2862

[12]Patent:WO2008/6540,2008,A1,.Locationinpatent:Page/Pagecolumn34,53

[13]JournaloftheAmericanChemicalSociety,1945,vol.67,p.1012,1015

[14]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1987,p.1845-1852

[15]JournaloftheAmericanChemicalSociety,1983,vol.105,#12,p.3824-3832

[16]Farmaco,1993,vol.48,#3,p.357-374

[17]ChemicalandPharmaceuticalBulletin,1995,vol.43,#5,p.788-796

[18]ChemicalandPharmaceuticalBulletin,1995,vol.43,#5,p.797-817

[19]Patent:WO2008/33745,2008,A2,.Locationinpatent:Page/Pagecolumn70

[20]Patent:WO2008/51514,2008,A2,.Locationinpatent:Page/Pagecolumn44

[21]Patent:WO2008/57208,2008,A2,.Locationinpatent:Page/Pagecolumn48

[22]Patent:WO2008/33747,2008,A2,.Locationinpatent:Page/Pagecolumn254-255

[23]EuropeanJournalofMedicinalChemistry,2009,vol.44,#3,p.1369-1376

[24]Patent:WO2013/12915,2013,A1,.Locationinpatent:Paragraph00664

[25]JournalofMedicinalChemistry,2014,vol.57,#5,p.1770-1776

[26]Patent:WO2014/205223,2014,A1,.Locationinpatent:Paragraph0149-0150

[27]Synlett,2015,vol.26,#3,p.393-403

[28]LettersinDrugDesignandDiscovery,2014,vol.11,#10,p.1143-1148

[29]NewJournalofChemistry,2017,vol.41,#5,p.1918-1924

[30]Patent:WO2017/189553,2017,A1,.Locationinpatent:Paragraph0341;0342

27317-59-5    2318-25-4 

[1]Patent:WO2015/89327,2015,A1,.Locationinpatent:Paragraph0413

105-56-6    2318-25-4 

[1]Patent:US5145857,1992,A,

[2]Patent:US3941823,1976,A,

[3]Patent:US2010/183551,2010,A1,

[4]Patent:WO2015/89327,2015,A1,

[5]Polyhedron,2016,vol.106,p.138-143

Downstream Synthesis Route
2318-25-4    75-00-3    7597-56-0 

[1]ChemischeBerichte,1895,vol.28,p.476

2318-25-4    7597-56-0 

[1]ChemischeBerichte,1962,vol.95,p.281-294

[2]JournaloftheAmericanChemicalSociety,1983,vol.105,p.3824-3832

2318-25-4    34570-17-7 

[1]IlFarmaco,1993,vol.48,p.357-374

[2]EuropeanJournalofMedicinalChemistry,2009,vol.44,p.1369-1376

2318-25-4    79-19-6    88124-55-4 

[1]Kiseleva,V.V.;Gakh,A.A.;Fainzil'berg,A.A.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1990,vol.39,#9.2.,p.1888-1895][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1990,vol.39,#9,p.2075-2084]

[2]Ahad,AliMd.;Zuohe,Song;Du-Cuny,Lei;Moses,SylvestorA.;Zhou,LiLi;Zhang,Shuxing;Powis,Garth;Meuillet,EmmanuelleJ.;Mash,EugeneA.[BioorganicandMedicinalChemistry,2011,vol.19,#6,p.2046-2054]

[3]CurrentPatentAssignee:THEUNIVERSITYOFTEXASSYSTEM;ARIZONABOARDOFREGENTS-WO2009/129267,2009,A2Locationinpatent:Page/Pagecolumn88

2318-25-4    17220-38-1    132973-17-2 

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1990,vol.39,p.1888-1895    IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1990,vol.39,p.2075-2084

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