4-Iodobenzylamine

Base Information

• Chemical Name: 4-Iodobenzylamine
• CAS No.: 39959-59-6
• Molecular Formula: C7H8IN
• Molecular Weight: 233.052
• Hs Code.: 2921499090
• European Community (EC) Number: 638-924-7
• DSSTox Substance ID: DTXSID00372118
• Nikkaji Number: J2.302.182J
• Wikidata: Q72483437
• Mol file: 39959-59-6.mol

Synonyms:4-IODOBENZYLAMINE;(4-iodophenyl)methanamine;39959-59-6;4-Iodobenzyl amine;1-(4-Iodophenyl)methanamine;4-Iodo-benzylamine;BENZENEMETHANAMINE, 4-IODO-;MFCD00047933;4-iodobenzene methanamine;4-iodo-(aminomethyl)-benzene;SCHEMBL458481;1-(4-iodophenyl)methyl amine;4-Iodobenzylamine, AldrichCPR;DTXSID00372118;KCGZGJOBKAXVSU-UHFFFAOYSA-N;CK2421;AKOS009159198;CS-W014680;PS-5698;AC-25954;SY050233;FT-0618789;I0831;A19833;EN300-184164;AE-562/43460670;ZXI

Chemical Property of 4-Iodobenzylamine

Chemical Property:

• Vapor Pressure: 0.0217mmHg at 25°C
• Melting Point: 46-48°C
• Refractive Index: 1.644
• Boiling Point: 250.4 °C at 760 mmHg
• PKA: 8.90±0.10(Predicted)
• Flash Point: 105.2 °C
• PSA: 26.02000
• Density: 1.772g/cm³
• LogP: 2.45020
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive/Air Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 232.97015
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Iodobenzylamine >97.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)I
• Uses: 4-Iodobenzylamine is used to prepare 2-bromo-N-(4-iodo-benzyl)-acetamide in the presence of bromoacetyl bromide.

Technology Process of 4-Iodobenzylamine

There total 11 articles about 4-Iodobenzylamine 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: 85.0%

4-iodobenzonitrile (3058-39-7) → 4-iodobenzyl amine (39959-59-6)

Guidance literature:

With borane-THF; In tetrahydrofuran; for 7h; Inert atmosphere; Reflux;

DOI:10.1002/adsc.202000663

Reference yield:

2-(4-iodobenzyl)-isoindoline-1,3-dione (411221-85-7) → 4-iodobenzyl amine (39959-59-6)

Guidance literature:

With hydrazine hydrate; In ethanol; at 100 ℃; for 2h;

Reference yield:

1-azidomethyl-4-iodo-benzene (680190-94-7) → 4-iodobenzyl amine (39959-59-6)

Guidance literature:

With water; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1021/ol7030087

upstream raw materials:

4-iodobenzyl chloride

hexamethylenetetramine

1-bromomethyl-4-iodobenzene

N-(4-iodo-benzyl)-acetamide

Downstream raw materials:

N-(4-iodo-benzyl)-acetamide

C₂₉H₂₆Fe₂N₂O₇S₂

Refernces

• 1、 Utsumi, Tatsuki,Noda, Kenta,Kawauchi, Daichi,Ueda, Hirofumi,Tokuyama, Hidetoshi. "Nitrile Synthesis by Aerobic Oxidation of Primary Amines and in situ Generated Imines from Aldehydes and Ammonium Salt with Grubbs Catalyst". supporting information. p. 3583 - 3588. Retrieved 2020/08/05.
• 2、 Shao, Zhihui,Fu, Shaomin,Wei, Mufeng,Zhou, Shaolin,Liu, Qiang. "Mild and Selective Cobalt-Catalyzed Chemodivergent Transfer Hydrogenation of Nitriles". supporting information. p. 14653 - 14657. Retrieved 2016/11/23.