N-benzyl-2-iodoaniline

Base Information

• Chemical Name: N-benzyl-2-iodoaniline
• CAS No.: 76464-99-8
• Molecular Formula: C13H12IN
• Molecular Weight: 309.149
• DSSTox Substance ID: DTXSID20434661
• Nikkaji Number: J1.438.819B
• Wikidata: Q82249130
• Mol file: 76464-99-8.mol

Synonyms:N-benzyl-2-iodoaniline

Chemical Property of N-benzyl-2-iodoaniline

Chemical Property:

• Boiling Point: 368.7±25.0 °C(Predicted)
• PSA: 12.03000
• Density: 1.612±0.06 g/cm3(Predicted)
• LogP: 3.97630
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 309.00145
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=CC=CC=C2I

Technology Process of N-benzyl-2-iodoaniline

There total 14 articles about N-benzyl-2-iodoaniline 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: 96.0%

2-iodophenylamine (615-43-0) + benzaldehyde (100-52-7) → N-benzyl-2-iodoaniline (76464-99-8)

Guidance literature:

With sodium cyanoborohydride; zinc(II) chloride; In methanol;

DOI:10.1016/j.tetlet.2005.04.032

Reference yield: 81.0%

2-iodo-N-(phenylmethylene)-benzenamine (15111-14-5) → N-benzyl-2-iodoaniline (76464-99-8)

Guidance literature:

With triethylsilane; C₃₄H₃₃ClIrP; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In dichloromethane; at 40 ℃; for 3h; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejic.201800412

Reference yield: 78.0%

2-iodophenylamine (615-43-0) + benzyl chloride (100-44-7) → benzaldehyde (100-52-7) + N-benzyl-2-iodoaniline (76464-99-8)

Guidance literature:

With sodium carbonate; In dimethyl sulfoxide; at 130 ℃; for 12h;

DOI:10.1016/j.tetlet.2017.05.004

upstream raw materials:

2-iodophenylamine

benzyl chloride

2-iodo-N-(phenylmethylene)-benzenamine

benzaldehyde

Downstream raw materials:

N-benzyl-N-(2-iodophenyl)-2-methylacrylamide

phenanthridine

N-Benzylaniline

(E)-(R)-4-[3-Benzyl-3-(2-iodo-phenyl)-ureido]-5-phenyl-pent-2-enoic acid methyl ester