1-Iodo-4-isopropylbenzene

Base Information

• Chemical Name: 1-Iodo-4-isopropylbenzene
• CAS No.: 17356-09-1
• Molecular Formula: C9H11I
• Molecular Weight: 246.091
• Hs Code.: 29039990
• European Community (EC) Number: 241-384-1
• DSSTox Substance ID: DTXSID70169633
• Nikkaji Number: J287.021E
• Wikidata: Q83039348
• Mol file: 17356-09-1.mol

Synonyms:1-iodo-4-isopropylbenzene;17356-09-1;p-Iodocumene;4-Iodoisopropylbenzene;1-iodo-4-propan-2-ylbenzene;Benzene, 1-iodo-4-(1-methylethyl)-;1-IODO-4-(PROPAN-2-YL)BENZENE;EINECS 241-384-1;2-(4'-Iodophenyl)propane;4-IODOCUMENE;P-IODOISOPROPYLBENZENE;4-ISOPROPYLIODOBENZENE;4-Jodisopropylbenzol;Benzene,1-iodo-4-(1-methylethyl)-;4-isopropyl-iodobenzene;4-Isopropylphenyl iodide;1-iodo-4-isopropyl-benzene;SCHEMBL10714;DTXSID70169633;MFCD00013711;AKOS005207029;1-iodo-4-isopropylbenzene, AldrichCPR;PS-7526;CS-0131493;FT-0608651;D94555

Chemical Property of 1-Iodo-4-isopropylbenzene

Chemical Property:

• Vapor Pressure: 0.116mmHg at 25°C
• Refractive Index: 1.5780
• Boiling Point: 227.6 °C at 760 mmHg
• Flash Point: 98.1 °C
• PSA: 0.00000
• Density: 1.523 g/cm³
• LogP: 3.41460
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Light Sensitive
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 245.99055
• Heavy Atom Count: 10
• Complexity: 90.9

Purity/Quality:

99% ^*data from raw suppliers

1-Iodo-4-isopropylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N,Xn
• Statements: 36/37/38-50/53-22-36/38
• Safety Statements: 26-37/39-61-60-37-23

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Iodo-4-isopropylbenzene

There total 13 articles about 1-Iodo-4-isopropylbenzene 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: 88.0%

Isopropylbenzene (98-82-8) → 4-iodocumene (17356-09-1)

Guidance literature:

With iodine; Selectfluor; In acetonitrile; at 55 - 65 ℃; for 4h;

Reference yield: 86.0%

4-iso-propylbromobenzene (586-61-8) → 4-iodocumene (17356-09-1)

Guidance literature:

4-iso-propylbromobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

With iodine; In tetrahydrofuran; hexane; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1039/c9cc07512g

Reference yield: 82.0%

(4-isopropylphenyl)boronic acid (16152-51-5) → 4-iodocumene (17356-09-1)

Guidance literature:

With iodine; potassium carbonate; In acetonitrile; at 80 ℃; for 12h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1055/s-0033-1340871

upstream raw materials:

Isopropylbenzene

iodobenzene

propene

bis(p-isopropylphenyl)thallium trifluoroacetate

Downstream raw materials:

(E)-1,2-bis(4-isopropylphenyl)ethene

4-isopropylbenzamide

p-Cyanocumen

(E)-methyl 3-(p-isopropylphenyl)prop-2-enoate

Refernces

• 1、 Gun'kin,Butin. "The reactivity of organothallium compounds. Kinetics and mechanism of iodination of diarylthallium salts by molecular iodine in dioxane". . p. 448 - 452. Retrieved 1999.
• 2、 Liu, Wenbo,Yang, Xiaobo,Gao, Yang,Li, Chao-Jun. "Simple and Efficient Generation of Aryl Radicals from Aryl Triflates: Synthesis of Aryl Boronates and Aryl Iodides at Room Temperature". supporting information. p. 8621 - 8627. Retrieved 2017/07/06.