2-Iodo-4-isopropylaniline

Base Information

• Chemical Name: 2-Iodo-4-isopropylaniline
• CAS No.: 76842-15-4
• Molecular Formula: C9H12IN
• Molecular Weight: 261.105
• DSSTox Substance ID: DTXSID901294441
• Nikkaji Number: J2.278.388B
• Mol file: 76842-15-4.mol

Synonyms:2-iodo-4-isopropylaniline;76842-15-4;2-iodo-4-propan-2-ylaniline;2-IODO-4-(1-METHYLETHYL)BENZENAMINE;SCHEMBL4827890;2-iodo-4-(propan-2-yl)aniline;DTXSID901294441;MFCD09743666;2-Iodo-4-(1-methylethyl)benzeneamine;AKOS017553157;GS-6323;SB81969;CS-0194283;FT-0698952;F11367

Chemical Property of 2-Iodo-4-isopropylaniline

Chemical Property:

• PSA: 26.02000
• LogP: 3.57800
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 261.00145
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

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

2-Iodo-4-(1-methylethyl)benzenamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Iodo-4-isopropylaniline

There total 1 articles about 2-Iodo-4-isopropylaniline 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: 90.0%

4-Isopropylaniline (99-88-7) → 2-iodo-4-isopropylaniline (76842-15-4)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; calcium carbonate; In methanol; dichloromethane; at 20 ℃; for 2.5h;

DOI:10.1021/ol0526064

Reference yield: 99.0%

pyrrolidine (123-75-1) + 2-iodo-4-isopropylaniline (76842-15-4) → 1-[(2-iodo-4-isopropylphenyl)diazenyl]pyrrolidine

Guidance literature:

2-iodo-4-isopropylaniline; With hydrogenchloride; acetic acid; sodium nitrite; In water; at 0 ℃; for 0.5h;

pyrrolidine; With potassium hydroxide; In water; at 0 ℃;

DOI:10.1021/ol0526064

Reference yield: 89.0%

ortho-anisaldehyde (135-02-4) + 2-iodo-4-isopropylaniline (76842-15-4) + 3-(2-nitroethenyl)-1H-indole (3156-51-2) → 4-(1H-indol-3-yl)-8-iodo-6-isopropyl-2-(2-methoxyphenyl)-3-nitro-1,2,3,4-tetrahydroquinoline

Guidance literature:

ortho-anisaldehyde; 2-iodo-4-isopropylaniline; With iron(III) chloride; In 1,2-dichloro-ethane; for 0.166667h; Reflux;

3-(2-nitroethenyl)-1H-indole; In 1,2-dichloro-ethane; for 13h; Reflux;

DOI:10.1002/adsc.201400424

upstream raw materials:

4-Isopropylaniline

Downstream raw materials:

4-isopropyl-2-(thiomethyl)aniline

2-(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-4-isopropyl-phenylamine

(4,6-dimethyl-pyrimidin-2-yl)-(4-isopropyl-2-methylsulfanyl-phenyl)-amine

2-(4,6-dimethyl-pyrimidin-2-ylamino)-5-isopropyl-benzenethiol

Refernces

• 1、 Puli, Venkat Swamy,Kilaru, Suresh,Bhongiri, Yadagiri,Marri, Sreenath Reddy,Tripathi, Anuj,Chetti, Prabhakar,Chatterjee, Anindita,Vukoti, Kiran Kumar,Pola, Someshwar. "New indolo[1,2-c]quinazolines for single-crystal field-effect transistor: A united experimental and theoretical studies". . . Retrieved 2021/08/30.
• 2、 Horhant, David,Liang, Jing-Jing,Virboul, Morgane,Poriel, Cyril,Alcaraz, Gilles,Rault-Berthelot, Joelle. "Dispirofluorene-indenofluorene (DSFIF): Synthesis, electrochemical, and optical properties of a promising new family of luminescent materials". . p. 257 - 260. Retrieved 2007/10/03.