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5837-72-9,MFCD00191651
Catalog No.:AA003QM9

5837-72-9 | 3-(Methoxycarbonyl)-2-propenal

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
>96.0%(GC)
in stock  
$63.00   $44.00
- +
1g
96%
in stock  
$434.00   $304.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003QM9
Chemical Name:
3-(Methoxycarbonyl)-2-propenal
CAS Number:
5837-72-9
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
MDL Number:
MFCD00191651
SMILES:
COC(=O)/C=C/C=O
Properties
Properties
 
Form:
Solid  
MP:
40℃  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
115  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.2  

Downstream Synthesis Route
5837-72-9    64030-44-0   
(E)-3-((S)-2-Phenyl-hexahydro-pyrrolo1,2-cimidazol-3-yl)-acrylicacidmethylester 

[1]Tetrahedron,1981,vol.37,p.4111-4119

15799-79-8    5837-72-9   
(S)-4-oxo-2-(4-dimethylamino-2-methoxyphenyl)-butyricacidmethylester 
  447462-08-0 

[1]JournaloftheAmericanChemicalSociety,2002,vol.124,p.7894-7895

86-56-6    5837-72-9   
(S)-2-(4-dimethylaminonaphthalen-1-yl)-4-oxobutyricacidmethylester 
 
(R)-2-(4-dimethylaminonaphthalen-1-yl)-4-oxobutyricacidmethylester 

[1]Paras,NickA.;MacMillan,DavidW.C.[JournaloftheAmericanChemicalSociety,2002,vol.124,#27,p.7894-7895]

824-21-5    5837-72-9   
(S)-2-(1-methyl-2,3-dihydro-1H-indol-5-yl)-4-oxobutyricacidmethylester 

[1]JournaloftheAmericanChemicalSociety,2002,vol.124,p.7894-7895

824-21-5    5837-72-9   
(R)-2-(1-methyl-2,3-dihydro-1H-indol-5-yl)-4-oxobutyricacidmethylester 

[1]JournaloftheAmericanChemicalSociety,2002,vol.124,p.7894-7895

Literature
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SDS
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Tags:5837-72-9 Molecular Formula|5837-72-9 MDL|5837-72-9 SMILES|5837-72-9 3-(Methoxycarbonyl)-2-propenal
Catalog No.: AA003QM9
5837-72-9,MFCD00191651
5837-72-9 | 3-(Methoxycarbonyl)-2-propenal
Pack Size： 100mg
Purity： >96.0%(GC)
in stock
$63.00 $44.00
Pack Size： 1g
Purity： 96%
in stock
$434.00 $304.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003QM9
Chemical Name: 3-(Methoxycarbonyl)-2-propenal
CAS Number: 5837-72-9
Molecular Formula: C5H6O3
Molecular Weight: 114.0993
MDL Number: MFCD00191651
SMILES: COC(=O)/C=C/C=O
Properties
Form: Solid  
MP: 40℃  
Storage: -20 ℃;  
Complexity: 115  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 8  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.2  
Downstream Synthesis Route
5837-72-9    64030-44-0   
(E)-3-((S)-2-Phenyl-hexahydro-pyrrolo1,2-cimidazol-3-yl)-acrylicacidmethylester 

[1]Tetrahedron,1981,vol.37,p.4111-4119

15799-79-8    5837-72-9   
(S)-4-oxo-2-(4-dimethylamino-2-methoxyphenyl)-butyricacidmethylester 
  447462-08-0 

[1]JournaloftheAmericanChemicalSociety,2002,vol.124,p.7894-7895

86-56-6    5837-72-9   
(S)-2-(4-dimethylaminonaphthalen-1-yl)-4-oxobutyricacidmethylester 
 
(R)-2-(4-dimethylaminonaphthalen-1-yl)-4-oxobutyricacidmethylester 

[1]Paras,NickA.;MacMillan,DavidW.C.[JournaloftheAmericanChemicalSociety,2002,vol.124,#27,p.7894-7895]

824-21-5    5837-72-9   
(S)-2-(1-methyl-2,3-dihydro-1H-indol-5-yl)-4-oxobutyricacidmethylester 

[1]JournaloftheAmericanChemicalSociety,2002,vol.124,p.7894-7895

824-21-5    5837-72-9   
(R)-2-(1-methyl-2,3-dihydro-1H-indol-5-yl)-4-oxobutyricacidmethylester 

[1]JournaloftheAmericanChemicalSociety,2002,vol.124,p.7894-7895

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