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Home Amines 41727-48-4
41727-48-4,MFCD08436086
Catalog No.:AA00CLJY

41727-48-4 | Methyl 4-amino-3,5-dichlorobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$7.00   $5.00
- +
1g
97%
in stock  
$24.00   $17.00
- +
5g
97%
in stock  
$90.00   $63.00
- +
25g
97%
in stock  
$284.00   $199.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00CLJY
Chemical Name:
Methyl 4-amino-3,5-dichlorobenzoate
CAS Number:
41727-48-4
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
MDL Number:
MFCD08436086
SMILES:
COC(=O)c1cc(Cl)c(c(c1)Cl)N
Properties
Computed Properties
 
Complexity:
189  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.9  

Upstream Synthesis Route

[1]Patent:WO2014/165816,2014,A1,.Locationinpatent:Page/Pagecolumn116

[2]Patent:WO2015/167795,2015,A1,.Locationinpatent:Page/Pagecolumn29

[1]Patent:US5502073,1996,A,

[2]Patent:EP279698,1990,A3,

[1]Patent:EP459819,1991,A2,

[1]RecueildesTravauxChimiquesdesPays-Bas,1959,vol.78,p.534,540

[1]ChemischeBerichte,1941,vol.74,p.807,821

Downstream Synthesis Route

[1]ChemischeBerichte,1941,vol.74,p.807,821

[1]ChemischeBerichte,1941,vol.74,p.807,821

[2]Patent:EP279698,1990,A3

[1]RecueildesTravauxChimiquesdesPays-Bas,1959,vol.78,p.534,540

[1]RecueildesTravauxChimiquesdesPays-Bas,1959,vol.78,p.534,540

[1]Patent:US3801636,1974,    Chem.Abstr.,1974,vol.81

Literature

Title: Identification of a novel scaffold for allosteric inhibition of wild type and drug resistant HIV-1 reverse transcriptase by fragment library screening.

Journal: Journal of medicinal chemistry 20110210

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SDS
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