2-Iodoisopropylbenzene

Base Information

• Chemical Name: 2-Iodoisopropylbenzene
• CAS No.: 19099-54-8
• Molecular Formula: C9H11 I
• Molecular Weight: 246.091
• Hs Code.: 29039990
• European Community (EC) Number: 242-819-8
• UNII: DR9WQW9E5N
• DSSTox Substance ID: DTXSID20172612
• Nikkaji Number: J224.857C
• Wikidata: Q72483747
• Mol file: 19099-54-8.mol

Synonyms:2-Iodoisopropylbenzene;19099-54-8;1-iodo-2-isopropylbenzene;2-Iodocumene;o-Iodocumene;1-iodo-2-propan-2-ylbenzene;1-Iodo-2-isopropyl-benzene;Benzene, 1-iodo-2-(1-methylethyl)-;MFCD00013704;DR9WQW9E5N;EINECS 242-819-8;o-i-propyliodobenzene;2-isopropyliodobenzene;2-iodoisopropyl benzene;UNII-DR9WQW9E5N;2-iodocumene, AldrichCPR;1-Iodo-2-iso-propylbenzene;SCHEMBL935174;1-iodo-2-(propan-2-yl)benzene;DTXSID20172612;1-Iodo-2-(1-methylethyl)benzene;Benzene,1-iodo-2-(1-methylethyl)-;AKOS009159263;CS-W021342;DS-6322;SY048195;FT-0612677;I0559;EN300-646060

Chemical Property of 2-Iodoisopropylbenzene

Chemical Property:

• Vapor Pressure: 0.0981mmHg at 25°C
• Refractive Index: 1.5801
• Boiling Point: 230.7°Cat760mmHg
• Flash Point: 99.8°C
• PSA: 0.00000
• Density: 1.523g/cm³
• LogP: 3.41460
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 245.99055
• Heavy Atom Count: 10
• Complexity: 98.9

Purity/Quality:

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

2-Iodocumene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 36/37/38-50/53-41-37/38
• Safety Statements: 26-36/37/39-61-60-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1I
• Uses: 2-Iodocumene acts as a reagent in the synthesis of aryliminoguanidines as NPFF1 and NPFF2 agonists.

Technology Process of 2-Iodoisopropylbenzene

There total 9 articles about 2-Iodoisopropylbenzene 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: 95.0%

1-bromo-2-isopropylbenzene (7073-94-1) → 2-isopropyliodobenzene (19099-54-8)

Guidance literature:

With copper(l) iodide; sodium iodide; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 110 ℃; for 20h;

DOI:10.1021/jm9011998

Reference yield: 73.0%

2-isopropylaniline (643-28-7) → 2-isopropyliodobenzene (19099-54-8)

Guidance literature:

2-isopropylaniline; With sulfuric acid; sodium nitrite; In water; at -20 ℃;

With potassium iodide; In water; for 18h;

Reference yield: 65.0%

1-bromo-2-isopropylbenzene (7073-94-1) + iodine (7553-56-2,12190-71-5,8031-47-8) → 2-isopropyliodobenzene (19099-54-8)

Guidance literature:

1-bromo-2-isopropylbenzene; With magnesium; In tetrahydrofuran; for 5h; Reflux; Inert atmosphere;

iodine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1021/ja903277d

upstream raw materials:

2-isopropylaniline

Isopropylbenzene

1-bromo-2-isopropylbenzene

iodine

Downstream raw materials:

N,N-bis(1-methylethyl)-2-(1-methylethyl)benzamide

1-isopropyl-2-(1,2,2-trifluorovinyl)benzene

diethyl 2-(2-isopropylphenyl)malonate

(Z)-3-(2-Isopropyl-phenyl)-acrylic acid methyl ester

Refernces

• 1、 -. "Two-photon absorbing compounds and methods of making same". Page/Page column 21. . Retrieved 2018/11/21.
• 2、 -. "METHOD OF PRODUCING IODIZING AGENT, AND METHOD OF PRODUCING AROMATIC IODINE COMPOUND". Page/Page column 9. . Retrieved 2010/05/13.