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Home Amines 21745-41-5
21745-41-5,MFCD09881742
Catalog No.:AA00383C

21745-41-5 | 3-Chlorobenzene-1,2-diamine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$14.00   $10.00
- +
5g
95%
in stock  
$35.00   $25.00
- +
25g
97%
in stock  
$137.00   $96.00
- +
100g
97%
in stock  
$411.00   $288.00
- +
  • 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:
AA00383C
Chemical Name:
3-Chlorobenzene-1,2-diamine
CAS Number:
21745-41-5
Molecular Formula:
C6H7ClN2
Molecular Weight:
142.5862
MDL Number:
MFCD09881742
SMILES:
Nc1c(N)cccc1Cl
Properties
Computed Properties
 
Complexity:
97.1  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
XLogP3:
1.6  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,2010,vol.53,#3,p.1357-1369

[2]BollettinoScientificodellaFacoltadiChimicaIndustrialediBologna,1953,vol.11,p.42

[1]BioorganicandMedicinalChemistryLetters,2014,vol.24,#4,p.1218-1221

[1]JournalofChemicalSciences,2017,vol.129,#2,p.141-148

[2]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1982,p.357-364

[3]OrganicMagneticResonance,1980,vol.14,#4,p.300-304

[1]BulletindesSocietesChimiquesBelges,1986,vol.95,#8,p.663-670

[2]JournaloftheChemicalSociety,1953,p.2816,2819

[1]BollettinoScientificodellaFacoltadiChimicaIndustrialediBologna,1958,vol.16,p.1

Downstream Synthesis Route

[1]Chemistry-AEuropeanJournal,2012,vol.18,p.9552-9563

[2]AngewandteChemie-InternationalEdition,2019,vol.58,p.6911-6915    Angew.Chem.,2019,vol.131,p.6985-6989,5

[3]ChemistryofHeterocyclicCompounds,1968,vol.4,p.75-77    KhimiyaGeterotsiklicheskikhSoedinenii,1968,vol.4,p.95-98

[1]ChemicalandPharmaceuticalBulletin,1982,vol.30,p.2996-3004

[1]JournalofChemicalSciences,2017,vol.129,p.141-148

[2]JournaloftheChemicalSociety.PerkintransactionsI,1982,p.357-364

[3]OrganicMagneticResonance,1980,vol.14,p.300-304

21745-41-5    69366-72-9   
8-Chloro-3-(2-phenyl-2H-1,2,3triazol-4-yl)-3H-furo3,4-bquinoxalin-1-one 

[1]CarbohydrateResearch,1981,vol.90,p.144-148

[1]CarbohydrateResearch,1981,vol.90,p.144-148

Literature

Title: One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.

Journal: Journal of medicinal chemistry 20090723

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SDS
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