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52449-43-1,MFCD00032743
Catalog No.:AA00I9B1

52449-43-1 | Methyl 4-chlorophenylacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
10g
98%
in stock  
$10.00   $7.00
- +
25g
98%
in stock  
$12.00   $8.00
- +
100g
≥98%
in stock  
$31.00   $22.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I9B1
Chemical Name:
Methyl 4-chlorophenylacetate
CAS Number:
52449-43-1
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD00032743
SMILES:
COC(=O)Cc1ccc(cc1)Cl
Properties
Properties
 
BP:
240.3°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
1.522-1.524  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
151  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2017,vol.27,#16,p.3726-3732

[1]Tetrahedron,2002,vol.58,#51,p.10113-10126

[2]Patent:EP1712235,2006,A2,.Locationinpatent:Page/Pagecolumn53

[3]Patent:US2004/220179,2004,A1,.Locationinpatent:Page34

[4]JournalofMedicinalChemistry,1993,vol.36,#23,p.3738-3742

[5]Patent:US2003/191190,2003,A1,

[6]Patent:WO2006/71819,2006,A1,.Locationinpatent:Page/Pagecolumn80

[7]Patent:US4849434,1989,A,

[8]Patent:EP256687,1991,B1,

[9]Patent:EP1595867,2005,A1,.Locationinpatent:Page/Pagecolumn29

[10]Patent:US2010/48619,2010,A1,.Locationinpatent:Page/Pagecolumn17

[11]AdvancedSynthesisandCatalysis,2015,vol.357,#11,p.2479-2484

[12]BioorganicandMedicinalChemistryLetters,2016,vol.26,#12,p.2866-2869

[13]BioorganicandMedicinalChemistryLetters,2017,vol.27,#16,p.3726-3732

[14]Patent:WO2017/167953,2017,A1,.Locationinpatent:Page/Pagecolumn20

[1]Patent:WO2006/102375,2006,A2,.Locationinpatent:Page/Pagecolumn70

[1]JournaloftheAmericanChemicalSociety,1977,vol.99,#9,p.3059-3067

[2]BeilsteinJournalofOrganicChemistry,2011,vol.7,p.386-393

[1]Patent:US2012/252802,2012,A1,.Locationinpatent:Page/Pagecolumn77

Downstream Synthesis Route

[1]TetrahedronLetters,1991,vol.32,p.1343-1346

[1]EuropeanJournalofMedicinalChemistry,1991,vol.26,p.599-604

[1]SyntheticCommunications,1990,vol.20,p.1843-1852

[1]JournalofOrganicChemistry,1984,vol.49,p.2043-2045

[1]Patent:WO2009/89459,2009,A1.Locationinpatent:Page/Pagecolumn29

[2]Patent:WO2009/89352,2009,A1.Locationinpatent:Page/Pagecolumn51;66

[3]Patent:WO2009/89359,2009,A1.Locationinpatent:Page/Pagecolumn42-43

[4]Patent:WO2012/135750,2012,A1.Locationinpatent:Page/Pagecolumn77-78

[5]Patent:WO2012/135779,2012,A1.Locationinpatent:Page/Pagecolumn40

[6]Patent:WO2008/6040,2008,A1.Locationinpatent:Page/Pagecolumn103;128-129

[7]Patent:WO2008/6032,2008,A1.Locationinpatent:Page/Pagecolumn79

[8]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.5607-5612

[9]Patent:WO2019/90081,2019,A1.Locationinpatent:Page/Pagecolumn218

Literature
Quotation Request
Company Name:
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Contact Person:
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Email:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:52449-43-1 Molecular Formula|52449-43-1 MDL|52449-43-1 SMILES|52449-43-1 Methyl 4-chlorophenylacetate
Catalog No.: AA00I9B1
52449-43-1,MFCD00032743
52449-43-1 | Methyl 4-chlorophenylacetate
Pack Size： 5g
Purity： 98%
in stock
$6.00 $4.00
Pack Size： 10g
Purity： 98%
in stock
$10.00 $7.00
Pack Size： 25g
Purity： 98%
in stock
$12.00 $8.00
Pack Size： 100g
Purity： ≥98%
in stock
$31.00 $22.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I9B1
Chemical Name: Methyl 4-chlorophenylacetate
CAS Number: 52449-43-1
Molecular Formula: C9H9ClO2
Molecular Weight: 184.6196
MDL Number: MFCD00032743
SMILES: COC(=O)Cc1ccc(cc1)Cl
Properties
BP: 240.3°C at 760 mmHg  
Form: Liquid  
Refractive Index: 1.522-1.524  
Storage: Keep in dry area;Room Temperature;  
Complexity: 151  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Upstream Synthesis Route
52449-43-1    86147-28-6 

[1]BioorganicandMedicinalChemistryLetters,2017,vol.27,#16,p.3726-3732

52449-43-1    24091-92-7 

[1]Tetrahedron,2002,vol.58,#51,p.10113-10126

[2]Patent:EP1712235,2006,A2,.Locationinpatent:Page/Pagecolumn53

[3]Patent:US2004/220179,2004,A1,.Locationinpatent:Page34

[4]JournalofMedicinalChemistry,1993,vol.36,#23,p.3738-3742

[5]Patent:US2003/191190,2003,A1,

[6]Patent:WO2006/71819,2006,A1,.Locationinpatent:Page/Pagecolumn80

[7]Patent:US4849434,1989,A,

[8]Patent:EP256687,1991,B1,

[9]Patent:EP1595867,2005,A1,.Locationinpatent:Page/Pagecolumn29

[10]Patent:US2010/48619,2010,A1,.Locationinpatent:Page/Pagecolumn17

[11]AdvancedSynthesisandCatalysis,2015,vol.357,#11,p.2479-2484

[12]BioorganicandMedicinalChemistryLetters,2016,vol.26,#12,p.2866-2869

[13]BioorganicandMedicinalChemistryLetters,2017,vol.27,#16,p.3726-3732

[14]Patent:WO2017/167953,2017,A1,.Locationinpatent:Page/Pagecolumn20

67-56-1    24091-92-7    52449-43-1 

[1]Patent:WO2006/102375,2006,A2,.Locationinpatent:Page/Pagecolumn70

52449-43-1    6529-53-9 

[1]JournaloftheAmericanChemicalSociety,1977,vol.99,#9,p.3059-3067

[2]BeilsteinJournalofOrganicChemistry,2011,vol.7,p.386-393

52449-43-1    75-16-1    5468-97-3 

[1]Patent:US2012/252802,2012,A1,.Locationinpatent:Page/Pagecolumn77

Downstream Synthesis Route
186581-53-3    140-53-4    52449-43-1 

[1]TetrahedronLetters,1991,vol.32,p.1343-1346

553-90-2    52449-43-1    34402-92-1 

[1]EuropeanJournalofMedicinalChemistry,1991,vol.26,p.599-604

1878-66-6    52449-43-1    1195-44-4    3395-81-1    104-88-1    873-76-7 

[1]SyntheticCommunications,1990,vol.20,p.1843-1852

75-30-9    52449-43-1    86618-06-6 

[1]JournalofOrganicChemistry,1984,vol.49,p.2043-2045

50-00-0    52449-43-1    109135-06-0 

[1]Patent:WO2009/89459,2009,A1.Locationinpatent:Page/Pagecolumn29

[2]Patent:WO2009/89352,2009,A1.Locationinpatent:Page/Pagecolumn51;66

[3]Patent:WO2009/89359,2009,A1.Locationinpatent:Page/Pagecolumn42-43

[4]Patent:WO2012/135750,2012,A1.Locationinpatent:Page/Pagecolumn77-78

[5]Patent:WO2012/135779,2012,A1.Locationinpatent:Page/Pagecolumn40

[6]Patent:WO2008/6040,2008,A1.Locationinpatent:Page/Pagecolumn103;128-129

[7]Patent:WO2008/6032,2008,A1.Locationinpatent:Page/Pagecolumn79

[8]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.5607-5612

[9]Patent:WO2019/90081,2019,A1.Locationinpatent:Page/Pagecolumn218

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