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37842-58-3,MFCD00666813
Catalog No.:AA0034RE

37842-58-3 | Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$8.00   $6.00
- +
250mg
97%
in stock  
$12.00   $8.00
- +
1g
95%
in stock  
$23.00   $16.00
- +
5g
97%
in stock  
$72.00   $50.00
- +
10g
97%
in stock  
$142.00   $100.00
- +
25g
97%
in stock  
$354.00   $248.00
- +
100g
98%
in stock  
$1,407.00 $985.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0034RE
Chemical Name:
Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
CAS Number:
37842-58-3
Molecular Formula:
C12H16N2O5S
Molecular Weight:
300.3308
MDL Number:
MFCD00666813
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.CCOC(=O)C(C#N)N
NSC Number:
150033
Properties
Properties
 
BP:
494.3°C at 760 mmHg  
Form:
Solid  
MP:
118-120℃ (ethanol ethyl ether )  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
353  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  

Upstream Synthesis Route

[1]Patent:US5003099,1991,A,

[1]EuropeanJournalofMedicinalChemistry,2012,vol.49,p.164-171

[2]Chemistry-AEuropeanJournal,2015,vol.21,#16,p.6090-6099

[1]Patent:US4071550,1978,A,

[1]Patent:US5003099,1991,A,

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.441-451

[2]Chemistry-AEuropeanJournal,2015,vol.21,#16,p.6090-6099

Downstream Synthesis Route

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.1621-1628

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.441-451

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.441-451

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.441-451

37842-58-3   
N-<(Dimethylamino)methylene>-4'-formyl-(1,1'-biphenyl)-2-sulfonamide 
 
Cyano-1-(2'-1-dimethylamino-meth-(E)-ylidene-sulfamoyl}-biphenyl-4-yl)-meth-(Z)-ylidene-amino}-aceticacidethylester 

[1]Synthesis,1996,p.1325-1330

Literature
Quotation Request
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SDS
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Tags:37842-58-3 Molecular Formula|37842-58-3 MDL|37842-58-3 SMILES|37842-58-3 Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
Catalog No.: AA0034RE
37842-58-3,MFCD00666813
37842-58-3 | Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
Pack Size： 100mg
Purity： 97%
in stock
$8.00 $6.00
Pack Size： 250mg
Purity： 97%
in stock
$12.00 $8.00
Pack Size： 1g
Purity： 95%
in stock
$23.00 $16.00
Pack Size： 5g
Purity： 97%
in stock
$72.00 $50.00
Pack Size： 10g
Purity： 97%
in stock
$142.00 $100.00
Pack Size： 25g
Purity： 97%
in stock
$354.00 $248.00
Pack Size： 100g
Purity： 98%
in stock
$1,407.00 $985.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA0034RE
Chemical Name: Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
CAS Number: 37842-58-3
Molecular Formula: C12H16N2O5S
Molecular Weight: 300.3308
MDL Number: MFCD00666813
SMILES: Cc1ccc(cc1)S(=O)(=O)O.CCOC(=O)C(C#N)N
NSC Number: 150033
Properties
BP: 494.3°C at 760 mmHg  
Form: Solid  
MP: 118-120℃ (ethanol ethyl ether )  
Storage: Inert atmosphere;2-8℃;  
Complexity: 353  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
Upstream Synthesis Route
105-56-6    7440-06-4    37842-58-3 

[1]Patent:US5003099,1991,A,

104-15-4    32683-02-6    37842-58-3 

[1]EuropeanJournalofMedicinalChemistry,2012,vol.49,p.164-171

[2]Chemistry-AEuropeanJournal,2015,vol.21,#16,p.6090-6099

5457-25-0    6192-52-5    37842-58-3 

[1]Patent:US4071550,1978,A,

56503-39-0    7440-06-4    37842-58-3 

[1]Patent:US5003099,1991,A,

3849-21-6    37842-58-3 

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.441-451

[2]Chemistry-AEuropeanJournal,2015,vol.21,#16,p.6090-6099

Downstream Synthesis Route
532-54-7    37842-58-3    50627-56-0 

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.1621-1628

17628-76-1    37842-58-3    113120-63-1 

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.441-451

1823-76-3    37842-58-3    113120-77-7 

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.441-451

6192-52-5    32683-02-6    37842-58-3 

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.441-451

37842-58-3   
N-<(Dimethylamino)methylene>-4'-formyl-(1,1'-biphenyl)-2-sulfonamide 
 
Cyano-1-(2'-1-dimethylamino-meth-(E)-ylidene-sulfamoyl}-biphenyl-4-yl)-meth-(Z)-ylidene-amino}-aceticacidethylester 

[1]Synthesis,1996,p.1325-1330

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