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72978-22-4,MFCD23378655
Catalog No.:AA01AFNI

72978-22-4 | 1-benzyl 2-methyl 4,5-dihydro-1H-pyrrole-1,2-dicarboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
97%
2 weeks  
$812.00   $569.00
- +
1g
97%
2 weeks  
$1,230.00   $861.00
- +
5g
97%
2 weeks  
$4,629.00   $3,241.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01AFNI
Chemical Name:
1-benzyl 2-methyl 4,5-dihydro-1H-pyrrole-1,2-dicarboxylate
CAS Number:
72978-22-4
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
MDL Number:
MFCD23378655
SMILES:
COC(=O)C1=CCCN1C(=O)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
372  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Downstream Synthesis Route

[1]ChemicalandPharmaceuticalBulletin,1990,vol.38,p.2020-2023

67385-09-5    72978-22-4   
C21H30N2O6S 

[1]Gutiérrez,Alejandro;Osante,Iñaki;Cativiela,Carlos[TetrahedronLetters,2018,vol.59,#17,p.1661-1665]

6628-68-8    72978-22-4   
trans-1-benzyl2-methyl3-(1-ethoxy-2-(ethoxycarbonyl)-1-oxo-4-phenylbutan-2-yl)pyrrolidine-1,2-dicarboxylate 

[1]ACSChemicalNeuroscience,2019,vol.10,p.2989-3007

344-14-9    72978-22-4   
trans-1-benzyl2-methyl3-(2-fluoro-1,3-dimethoxy-1,3-dioxopropan-2-yl)pyrrolidine-1,2-dicarboxylate 

[1]ACSChemicalNeuroscience,2019,vol.10,p.2989-3007

5018-30-4    72978-22-4   
trans-1-benzyl2-methyl3-(1,2,3-trimethoxy-1,3-dioxopropan-2-yl)pyrrolidine-1,2-dicarboxylate 

[1]ACSChemicalNeuroscience,2019,vol.10,p.2989-3007

Literature
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SDS
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Tags:72978-22-4 Molecular Formula|72978-22-4 MDL|72978-22-4 SMILES|72978-22-4 1-benzyl 2-methyl 4,5-dihydro-1H-pyrrole-1,2-dicarboxylate
Catalog No.: AA01AFNI
72978-22-4,MFCD23378655
72978-22-4 | 1-benzyl 2-methyl 4,5-dihydro-1H-pyrrole-1,2-dicarboxylate
Pack Size： 500mg
Purity： 97%
2 weeks
$812.00 $569.00
Pack Size： 1g
Purity： 97%
2 weeks
$1,230.00 $861.00
Pack Size： 5g
Purity： 97%
2 weeks
$4,629.00 $3,241.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01AFNI
Chemical Name: 1-benzyl 2-methyl 4,5-dihydro-1H-pyrrole-1,2-dicarboxylate
CAS Number: 72978-22-4
Molecular Formula: C14H15NO4
Molecular Weight: 261.2732
MDL Number: MFCD23378655
SMILES: COC(=O)C1=CCCN1C(=O)OCc1ccccc1
Properties
Complexity: 372  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Downstream Synthesis Route
2133-40-6    72978-22-4 

[1]ChemicalandPharmaceuticalBulletin,1990,vol.38,p.2020-2023

67385-09-5    72978-22-4   
C21H30N2O6S 

[1]Gutiérrez,Alejandro;Osante,Iñaki;Cativiela,Carlos[TetrahedronLetters,2018,vol.59,#17,p.1661-1665]

6628-68-8    72978-22-4   
trans-1-benzyl2-methyl3-(1-ethoxy-2-(ethoxycarbonyl)-1-oxo-4-phenylbutan-2-yl)pyrrolidine-1,2-dicarboxylate 

[1]ACSChemicalNeuroscience,2019,vol.10,p.2989-3007

344-14-9    72978-22-4   
trans-1-benzyl2-methyl3-(2-fluoro-1,3-dimethoxy-1,3-dioxopropan-2-yl)pyrrolidine-1,2-dicarboxylate 

[1]ACSChemicalNeuroscience,2019,vol.10,p.2989-3007

5018-30-4    72978-22-4   
trans-1-benzyl2-methyl3-(1,2,3-trimethoxy-1,3-dioxopropan-2-yl)pyrrolidine-1,2-dicarboxylate 

[1]ACSChemicalNeuroscience,2019,vol.10,p.2989-3007

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