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936-12-9,MFCD00101795
Catalog No.:AA003Q24

936-12-9 | 2-Methyl-1H-pyrrole-3-carboxylic acid ethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$6.00   $4.00
- +
1g
98%
in stock  
$14.00   $10.00
- +
5g
98%
in stock  
$25.00   $18.00
- +
10g
98%
in stock  
$31.00   $22.00
- +
25g
98%
in stock  
$75.00   $53.00
- +
100g
98%
in stock  
$298.00   $209.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q24
Chemical Name:
2-Methyl-1H-pyrrole-3-carboxylic acid ethyl ester
CAS Number:
936-12-9
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD00101795
SMILES:
CCOC(=O)c1cc[nH]c1C
NSC Number:
81361
Properties
Properties
 
BP:
289.7°C at 760 mmHg  
Form:
Solid  
MP:
78-79℃(Solv: ethanol (64-17-5))  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
147  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Upstream Synthesis Route

[1]Patent:US2014/275079,2014,A1,.Locationinpatent:Paragraph0604

[2]OrganicandBiomolecularChemistry,2015,vol.13,#29,p.7911-7914

[3]BioorganicandMedicinalChemistryLetters,2017,vol.27,#10,p.2225-2233

[4]ChemischeBerichte,1911,vol.44,p.490

[5]ChemischeBerichte,1918,vol.51,p.569

[6]Patent:WO2017/59191,2017,A1,.Locationinpatent:Paragraph00916-00918

[1]Patent:WO2015/11164,2015,A1,

Downstream Synthesis Route

[1]GazzettaChimicaItaliana,1959,vol.89,p.1457,1458

[1]JustusLiebigsAnnalenderChemie,1958,vol.615,p.137,163

[1]JournalofOrganicChemistry,1984,vol.49,p.3327-3336

[1]ChemischeBerichte,1980,vol.113,p.2036-2037

[1]LiebigsAnnalenderChemie,1981,p.396-401

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Quotation Request
Company Name:
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Quantity Required:
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Additional Info:
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SDS
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Tags:936-12-9 Molecular Formula|936-12-9 MDL|936-12-9 SMILES|936-12-9 2-Methyl-1H-pyrrole-3-carboxylic acid ethyl ester
Catalog No.: AA003Q24
936-12-9,MFCD00101795
936-12-9 | 2-Methyl-1H-pyrrole-3-carboxylic acid ethyl ester
Pack Size： 250mg
Purity： 98%
in stock
$6.00 $4.00
Pack Size： 1g
Purity： 98%
in stock
$14.00 $10.00
Pack Size： 5g
Purity： 98%
in stock
$25.00 $18.00
Pack Size： 10g
Purity： 98%
in stock
$31.00 $22.00
Pack Size： 25g
Purity： 98%
in stock
$75.00 $53.00
Pack Size： 100g
Purity： 98%
in stock
$298.00 $209.00
Quantity
- +
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Technical Information
Catalog Number: AA003Q24
Chemical Name: 2-Methyl-1H-pyrrole-3-carboxylic acid ethyl ester
CAS Number: 936-12-9
Molecular Formula: C8H11NO2
Molecular Weight: 153.1784
MDL Number: MFCD00101795
SMILES: CCOC(=O)c1cc[nH]c1C
NSC Number: 81361
Properties
BP: 289.7°C at 760 mmHg  
Form: Solid  
MP: 78-79℃(Solv: ethanol (64-17-5))  
Storage: Keep in dry area;2-8℃;  
Complexity: 147  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Upstream Synthesis Route
936-12-9    37102-48-0 

[1]Patent:US2014/275079,2014,A1,.Locationinpatent:Paragraph0604

[2]OrganicandBiomolecularChemistry,2015,vol.13,#29,p.7911-7914

[3]BioorganicandMedicinalChemistryLetters,2017,vol.27,#10,p.2225-2233

[4]ChemischeBerichte,1911,vol.44,p.490

[5]ChemischeBerichte,1918,vol.51,p.569

[6]Patent:WO2017/59191,2017,A1,.Locationinpatent:Paragraph00916-00918

936-12-9    89776-57-8 

[1]Patent:WO2015/11164,2015,A1,

Downstream Synthesis Route
1117-96-0    37102-48-0    936-12-9 

[1]GazzettaChimicaItaliana,1959,vol.89,p.1457,1458

108-05-4    936-12-9 

[1]JustusLiebigsAnnalenderChemie,1958,vol.615,p.137,163

936-12-9    51741-18-5    91238-26-5 

[1]JournalofOrganicChemistry,1984,vol.49,p.3327-3336

936-12-9    108-24-7    74469-98-0 

[1]ChemischeBerichte,1980,vol.113,p.2036-2037

936-12-9    17422-74-1    77476-54-1 

[1]LiebigsAnnalenderChemie,1981,p.396-401

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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