6-Chloropyridazin-3-amine Chemical Properties

Melting point:

210 °C

Boiling point:

363.2±22.0 °C(Predicted)

Density 

1.437±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

DMSO (Slightly), Methanol (Slightly, Heated)

form 

Solid

pka

4.06±0.10(Predicted)

color 

Light Brown to Brown

BRN 

110918

InChI

InChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)

InChIKey

DTXVKPOKPFWSFF-UHFFFAOYSA-N

SMILES

C1(N)=NN=C(Cl)C=C1

CAS DataBase Reference

5469-69-2(CAS DataBase Reference)

EPA Substance Registry System

3-Pyridazinamine, 6-chloro- (5469-69-2)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-20/21/22-22

Safety Statements 

26-36/37/39-22-36

WGK Germany 

3

Hazard Note 

Irritant

TSCA 

Yes

HS Code 

29339900

MSDS

• Language:English Provider:ALFA

6-Chloropyridazin-3-amine Usage And Synthesis

Chemical Properties

Brown Solid

Uses

3-Amino-6-chloropyridazine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Definition

ChEBI: 3(S)-hydroxy-13-cis-eicosenoyl-CoA is a member of pyridazines.

Synthesis

The general procedure for the synthesis of 3-amino-6-chloropyridazine from 3,6-dichloropyridazine was as follows: 3,6-dichloropyridazine (107,500 mg, 3.36 mmol) was slowly added to 2.0 M ammonia methanol solution (NH3 in MeOH, 17 mL, 33.6 mmol). The reaction mixture was heated at 130 °C for 96 h and subsequently cooled to room temperature. After the reaction was completed, water was carefully added. The organic compounds were extracted with ethyl acetate and the combined organic phases were washed with saturated aqueous sodium chloride solution. The organic layer was dried over anhydrous sodium sulfate and concentrated under reduced pressure. The crude product was purified by column chromatography to afford the target compound 3-amino-6-chloropyridazine (108d, 265 mg, 61% yield) as a white solid. The structure of the product was confirmed by 1H NMR (400 MHz, CD3OD) δ 6.95 (d, J = 9.6 Hz, 1H), 7.34 (d, J = 9.2 Hz, 1H) and 13C NMR (100 MHz, CD3OD) δ 119.8, 131.1, 147.1, 161.5.

References

[1] Patent: WO2013/59587, 2013, A1. Location in patent: Page/Page column 74; 75
[2] Patent: EP2768509, 2017, B1. Location in patent: Paragraph 0237; 0238
[3] Journal of Heterocyclic Chemistry, 2013, vol. 50, # 5, p. 1165 - 1173
[4] Organic and Biomolecular Chemistry, 2010, vol. 8, # 18, p. 4131 - 4136
[5] Patent: WO2007/26623, 2007, A1. Location in patent: Page/Page column 6-7

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