3-Iodobenzylamine hydrochloride Chemical Properties

Melting point:

188-190 °C(lit.)

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

Water Solubility 

Soluble in water

form 

powder to crystal

color 

White to Light yellow

Sensitive 

Light Sensitive

BRN 

5352277

InChI

InChI=1S/C7H8IN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H

InChIKey

PYFDZOCGFHIRST-UHFFFAOYSA-N

SMILES

C(C1C=CC=C(I)C=1)N.Cl

CAS DataBase Reference

3718-88-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,T,Xn

Risk Statements 

36/37/38-63-42/43

Safety Statements 

24/25-36/37/39-26-23-22

WGK Germany 

3

Hazard Note 

Irritant/Light Sensitive

HS Code 

29214990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

3-Iodobenzylamine hydrochloride Usage And Synthesis

Chemical Properties

white to light yellow crystal powde

Uses

3-Iodobenzylamine hydrochloride was used as the starting reagent in the synthesis of N⁶-(3-iodobenzyl)-2-substituted-adenosine derivatives. It was used in the synthesis of 3′-C-methyl adenosine N⁶-substituted and N⁶/C-2 disubstituted derivatives and novel 2′-C-methyl analogues.

Synthesis

The general procedure for the synthesis of 3-iodobenzylamine hydrochloride from the compound (CAS: 200706-60-1) was as follows: 2.0 g (5.6 mmol) of compound (A) and 20 mL of anhydrous ethanol were added to the reaction flask. After heating the mixture to 60°C, an ethanolic solution of hydrazine hydrate (prepared by dissolving 0.42 g, 8.4 mmol of hydrazine hydrate in 3 mL of anhydrous ethanol) was added dropwise under continuous stirring. The reaction was kept heated and stirred for 20 min and a yellow precipitate was observed to be formed. Stirring was stopped and the reaction mixture was kept in a 70°C water bath for 2.5 hours. It was then cooled to room temperature, at which time a large amount of yellow precipitate precipitated. 4 mL of 1 mol/L hydrochloric acid solution was added to the reaction flask to acidify the reaction mixture and stirring was continued for 30 minutes. After completion of the reaction, a filtration operation was carried out, the filtrate was washed with a small amount of water and the filtrates were combined. The combined filtrates were evaporated to dryness under reduced pressure and finally dried under vacuum to give 0.539 g of yellow solid (B) in 35.9% yield.

References

[1] Patent: CN106187823, 2016, A. Location in patent: Paragraph 0028; 0029

3-Iodobenzylamine hydrochloride(3718-88-5)Related Product Information

• 3-Iodobenzylamine
• Methoxyammonium chloride
• Benzylamine hydrochloride
• Dibenzylamine
• 4-Hydroxybenzylamine
• Triethylamine hydrochloride
• Phenoxybenzamine hydrochloride
• Topotecan hydrochloride
• 2,3,4-TRIMETHOXYPHENYLACETIC ACID
• TriMethopriM IMpurity C
• 3-Iodobenzyl bromide
• 2,3,4-Trihydroxybenzaldehyde
• 3-Anilino-2-(3,4,5-triMethoxybenzyl)acrylonitrile, (Mixture of cis/trans isoMers)
• Trimethoprim Related Compound B (25 mg) (2,4-diaminopyrimidin-5-yl)(3,4,5-trimethoxyphenyl)methanone) (AS)
• 1,4-Bis(2,3,4-triMethoxybenzyl)piperazine
• 4-[(2,3,4-TriMethoxyphenyl)Methyl]-1-piperazinecarboxylic Acid Ethyl Ester
• 1-Dimethylamino-2-phenylbutan-2-yl 3,4,5-trimethoxybenzoate
• 1-(3,4,5-TRIMETHOXY-BENZYL)-PIPERAZINE