m-Iodobenzylammonium chloride

Base Information

• Chemical Name: m-Iodobenzylammonium chloride
• CAS No.: 3718-88-5
• Molecular Formula: C7H8IN^.HCl
• Molecular Weight: 269.513
• Hs Code.: 29214990
• Mol file: 3718-88-5.mol

Synonyms:m-iodobenzylammonium chloride;AKOS024388867

Chemical Property of m-Iodobenzylammonium chloride

Chemical Property:

• Appearance/Colour: White to light yellow crystal powder
• Vapor Pressure: 0.00605mmHg at 25°C
• Melting Point: 188-190 °C(lit.)
• Boiling Point: 272.5 °C at 760 mmHg
• Flash Point: 118.6 °C
• PSA: 26.02000
• LogP: 3.25220
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 268.94682
• Heavy Atom Count: 10
• Complexity: 85

Purity/Quality:

99%Min. ^*data from raw suppliers

3-Iodobenzylamine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, T
• Hazard Codes: Xi,T,Xn
• Statements: 36/37/38-63-42/43
• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)I)C[NH3+].[Cl-]
• 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.

Technology Process of m-Iodobenzylammonium chloride

There total 2 articles about m-Iodobenzylammonium chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 35.9%

N-(3-iodobenzyl)phthalimide (200706-60-1) → 3-iodobenzylamine hydrochloride (3718-88-5)

Guidance literature:

N-(3-iodobenzyl)phthalimide; With hydrazine hydrate; In ethanol; at 60 - 70 ℃; for 2.83333h;

With hydrogenchloride; In water; for 0.5h;

Reference yield:

1-(chloromethyl)-3-iodobenzene (60076-09-7) → 3-iodobenzylamine hydrochloride (3718-88-5)

Guidance literature:

With hydrogenchloride; hexamethylenetetramine; Multistep reaction;

DOI:10.1002/recl.19921110103

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-iodobenzylamine hydrochloride (3718-88-5) → tert-butyl N-[(3-iodophenyl)methyl]carbamate (263351-43-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1.5h;

upstream raw materials:

1-(chloromethyl)-3-iodobenzene

N-(3-iodobenzyl)phthalimide

Downstream raw materials:

IB-MECA acetonide

(3aS,4S,6R,6aR)-6-[6-(3-Iodo-benzylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid ethylamide

N6-(3-iodobenzyl)-9-[β-D-ribofuranosyl]-adenine

2-chloro-N-⁶-(3-iodobenzyl)adenine

Refernces

• 1、 Hoefnagel, A. J.,Vos, R. H. de,Wepster, B. M.. "Substituent effects. 14. Anomalous dissociation constants in water-organic solvent mixtures: benzylammonium ions and related systems". . p. 22 - 28. Retrieved 2007/10/02.