alpha-(4-Iodoanilino)-ortho-cresol

Base Information

• Chemical Name: alpha-(4-Iodoanilino)-ortho-cresol
• CAS No.: 13159-82-5
• Molecular Formula: C13H12INO
• Molecular Weight: 325.14500
• European Community (EC) Number: 653-510-6
• Nikkaji Number: J307.520F
• Mol file: 13159-82-5.mol

Synonyms:2-[(4-iodoanilino)methyl]phenol;ALPHA-(4-IODOANILINO)-ORTHO-CRESOL;13159-82-5;2-(((4-Iodophenyl)amino)methyl)phenol;AKOS004117723

Chemical Property of alpha-(4-Iodoanilino)-ortho-cresol

Chemical Property:

• PSA: 32.26000
• LogP: 3.68190
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 324.99636
• Heavy Atom Count: 16
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CNC2=CC=C(C=C2)I)O

Technology Process of alpha-(4-Iodoanilino)-ortho-cresol

There total 3 articles about alpha-(4-Iodoanilino)-ortho-cresol 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: 98.0%

2-methyl-benzyl alcohol (89-95-2) + p-aminoiodobenzene (540-37-4) → N-(4'-I-phenyl)-o-hydroxybenzylamine (13159-82-5)

Guidance literature:

2-methyl-benzyl alcohol; p-aminoiodobenzene; In ethanol; for 7h; Heating;

With sodium tetrahydroborate; In ethanol; at 5 - 20 ℃;

DOI:10.3987/com-03-9786

Reference yield: 66.0%

N-Salicyliden-p-iodanilin (3489-07-4) → N-(4'-I-phenyl)-o-hydroxybenzylamine (13159-82-5)

Guidance literature:

With sodium tetrahydroborate; In 1,4-dioxane; methanol; for 1h;

DOI:10.1007/s00044-010-9457-4

Reference yield:

2-((phenylamino)methyl)phenol (3526-45-2) → N-(4'-I-phenyl)-o-hydroxybenzylamine (13159-82-5)

Guidance literature:

With iodine; In chloroform; at 20 ℃; for 48h; Rate constant;

upstream raw materials:

2-((phenylamino)methyl)phenol

2-methyl-benzyl alcohol

p-aminoiodobenzene

N-Salicyliden-p-iodanilin

Downstream raw materials:

N-(2-hydroxybenzyl)-N-(4-iodophenyl)-3-phenylpropynamide

2-bromo-N-(2-hydroxybenzyl)-N-(4-iodophenyl)-3-phenylpropionamide

4-(2-benzyl-3-oxo-2,3,4,5-tetrahydrobenz[f][1,4]oxazepin-4-yl)benzonitrile

2-benzyl-4-(4-iodophenyl)-2,3,4,5-tetrahydrobenz[f][1,4]oxazepin-3-one

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