1,2-BENZENEDIAMINE, 4-IODO- Chemical Properties

Melting point:

73-77℃

Boiling point:

339.0±32.0 °C(Predicted)

Density 

2.016

storage temp. 

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C

pka

3.37±0.10(Predicted)

form 

Solid

Appearance

Light brown to brown Solid

Water Solubility 

Slightly soluble in water.

Sensitive 

Light Sensitive

InChI

InChI=1S/C6H7IN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2

InChIKey

FUOSRKZBOIVBOS-UHFFFAOYSA-N

SMILES

C1(N)=CC=C(I)C=C1N

CAS DataBase Reference

21304-38-1

Safety Information

HazardClass 

6.1

HS Code 

2921599090

1,2-BENZENEDIAMINE, 4-IODO- Usage And Synthesis

Uses

It is employed in the synthesis of N-(Benzimidazol-2-ylmethyl)iminodiacetic acids.

Synthesis

Using 4-iodo-2-nitroaniline as starting material, the reduction reaction was carried out by adding 5 equivalents of tin dichloride dihydrate to an ethanol solution and reacting at 75°C for 2 hours. Upon completion of the reaction, 4-iodo-1,2-benzenediamine was obtained in 92% yield and the product was a light red solid.

References

[1] Patent: WO2010/43711, 2010, A1. Location in patent: Page/Page column 56
[2] Journal of Medicinal Chemistry, 2011, vol. 54, # 19, p. 6714 - 6723
[3] Patent: US2012/46307, 2012, A1. Location in patent: Page/Page column 27
[4] Journal of Medicinal Chemistry, 2015, vol. 58, # 18, p. 7241 - 7257
[5] Patent: JP2016/79108, 2016, A. Location in patent: Paragraph 0051

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