(2-Iodophenyl)methanamine

Base Information

• Chemical Name: (2-Iodophenyl)methanamine
• CAS No.: 39959-51-8
• Molecular Formula: C7H8IN
• Molecular Weight: 233.052
• Hs Code.: 2921499090
• European Community (EC) Number: 846-023-7
• DSSTox Substance ID: DTXSID30388489
• Nikkaji Number: J305.011D
• Wikidata: Q72483442
• Mol file: 39959-51-8.mol

Synonyms:(2-iodophenyl)methanamine;39959-51-8;2-IODOBENZYLAMINE;2-Iodo-benzylamine;1-(2-iodophenyl)methanamine;MFCD00047929;2-iodobenzyl amine;Benzenemethanamine, 2-iodo-;o-iodobenzylamine;SCHEMBL1765174;DTXSID30388489;RHQNNLRITZIWGM-UHFFFAOYSA-N;AKOS015890524;FS-5385;SB37031;AM100769;SY110296;CS-0096870;FT-0652732;C75019;EN300-141805;A824820;4-(3-Methoxyphenyl)-2-(pyridin-3-yl)butanenitrile

Chemical Property of (2-Iodophenyl)methanamine

Chemical Property:

• Vapor Pressure: 0.00703mmHg at 25°C
• Melting Point: 63-65 °C
• Refractive Index: 1.644
• Boiling Point: 270 °C at 760 mmHg
• PKA: 8.54±0.10(Predicted)
• Flash Point: 117.1 °C
• PSA: 26.02000
• Density: 1.772 g/cm³
• LogP: 2.45020
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 232.97015
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

97% ^*data from raw suppliers

2-Iodo-benzylamine 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CN)I

Technology Process of (2-Iodophenyl)methanamine

There total 9 articles about (2-Iodophenyl)methanamine 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: 84.0%

2-Iodobenzyl bromide (40400-13-3) → 2-iodobenzylamine (39959-51-8)

Guidance literature:

With ammonium hydroxide; In ethanol; at 20 ℃; for 4h;

DOI:10.1055/s-0029-1216888

Reference yield: 78.0%

2-iodobenzonitrile (4387-36-4) → 2-iodobenzylamine (39959-51-8)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 ℃; for 2h; Reflux;

DOI:10.1002/ejoc.201601392

Reference yield:

2-iodobenzyl alcohol (5159-41-1) → 2-iodobenzylamine (39959-51-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diphenylphosphoryl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene / toluene / 1.25 h / 20 °C

2.1: PPh₃ / tetrahydrofuran / 16 h

2.2: aq. NH₃ / tetrahydrofuran / 3 h

With diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; triphenylphosphine; In tetrahydrofuran; toluene;

DOI:10.1002/anie.200501437

upstream raw materials:

2-Iodobenzyl bromide

2-(2-iodophenyl)-acetamide

2-iodobenzonitrile

2-iodobenzyl alcohol

Downstream raw materials:

diethyl 2-(2-iodophenethyl)malonate

N-(2-Iodo-benzyl)-guanidine

3-i-propyl-isoquinoline

3-isopropyl-1,2,3,4-tetrahydroisoquinoline