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64507-20-6,MFCD28517441
Catalog No.:AA00H6C9

64507-20-6 | Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
80%
2 weeks  
$153.00   $107.00
- +
250mg
80%
2 weeks  
$207.00   $145.00
- +
1g
80%
2 weeks  
$451.00   $316.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00H6C9
Chemical Name:
Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, methyl ester
CAS Number:
64507-20-6
Molecular Formula:
C6H9ClO3
Molecular Weight:
164.5869
MDL Number:
MFCD28517441
SMILES:
COC(=O)C(C(=O)Cl)(C)C
Properties
Properties
 
Form:
Liquid  

Computed Properties
 
Complexity:
162  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
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:
1.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BoehringerMA-DD124974,1977,U[Chem.Abstr.,1977,vol.87,#167763][Chem.Abstr.,1977,vol.87,#167763]

52199-35-6    64507-20-6   
5,10,15,20-tetra<α,α,α,α-o-(2,2-dimethyl-2-methoxycarbonylacetamido)phenyl>porphine 

[1]Matsushita,Yoh-ichi;Hasegawa,Etsuo;Eshima,Kiyoshi;Tsuchida,Eishun[Heterocycles,1984,vol.22,#6,p.1403-1410]

13051-21-3    64507-20-6   
dimethyl2,2,6,6-tetramethyl-3,5-dioxo-4-oxaheptanedioate 

[1]ActaCrystallographica,SectionC:CrystalStructureCommunications,1996,vol.52,p.436-438

[1]Bunce,RichardA.;SchillingIII,CurtisL.[Tetrahedron,1997,vol.53,#28,p.9477-9486]

[1]Tetrahedron,1997,vol.53,p.9477-9486

[2]HelveticaChimicaActa,2001,vol.84,p.678-689

[3]Patent:JP2020/55956,2020,A.Locationinpatent:Paragraph0165-0167

Literature
Quotation Request
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Quantity Required:
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Additional Info:
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SDS
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Tags:64507-20-6 Molecular Formula|64507-20-6 MDL|64507-20-6 SMILES|64507-20-6 Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, methyl ester
Catalog No.: AA00H6C9
64507-20-6,MFCD28517441
64507-20-6 | Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, methyl ester
Pack Size： 100mg
Purity： 80%
2 weeks
$153.00 $107.00
Pack Size： 250mg
Purity： 80%
2 weeks
$207.00 $145.00
Pack Size： 1g
Purity： 80%
2 weeks
$451.00 $316.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00H6C9
Chemical Name: Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, methyl ester
CAS Number: 64507-20-6
Molecular Formula: C6H9ClO3
Molecular Weight: 164.5869
MDL Number: MFCD28517441
SMILES: COC(=O)C(C(=O)Cl)(C)C
Properties
Form: Liquid  
Complexity: 162  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
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: 1.7  
Downstream Synthesis Route
64507-20-6    877-95-2    64507-21-7 

[1]CurrentPatentAssignee:BoehringerMA-DD124974,1977,U[Chem.Abstr.,1977,vol.87,#167763][Chem.Abstr.,1977,vol.87,#167763]

52199-35-6    64507-20-6   
5,10,15,20-tetra<α,α,α,α-o-(2,2-dimethyl-2-methoxycarbonylacetamido)phenyl>porphine 

[1]Matsushita,Yoh-ichi;Hasegawa,Etsuo;Eshima,Kiyoshi;Tsuchida,Eishun[Heterocycles,1984,vol.22,#6,p.1403-1410]

13051-21-3    64507-20-6   
dimethyl2,2,6,6-tetramethyl-3,5-dioxo-4-oxaheptanedioate 

[1]ActaCrystallographica,SectionC:CrystalStructureCommunications,1996,vol.52,p.436-438

589-09-3    64507-20-6    194031-19-1 

[1]Bunce,RichardA.;SchillingIII,CurtisL.[Tetrahedron,1997,vol.53,#28,p.9477-9486]

13051-21-3    64507-20-6 

[1]Tetrahedron,1997,vol.53,p.9477-9486

[2]HelveticaChimicaActa,2001,vol.84,p.678-689

[3]Patent:JP2020/55956,2020,A.Locationinpatent:Paragraph0165-0167

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260054-47-5
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