1-Ethyl-2-iodobenzene

Base Information

• Chemical Name: 1-Ethyl-2-iodobenzene
• CAS No.: 18282-40-1
• Molecular Formula: C8H9I
• Molecular Weight: 232.064
• Hs Code.: 29039990
• DSSTox Substance ID: DTXSID30171338
• Nikkaji Number: J267.177H
• Wikidata: Q72475538
• Mol file: 18282-40-1.mol

Synonyms:1-Ethyl-2-iodobenzene;2-Ethyliodobenzene;18282-40-1;1-Iodo-2-ethylbenzene;Benzene, 1-ethyl-2-iodo-;2-Ethyl iodobenzene;1-ethyl-2-iodo-benzene;1-Ethyl-2-iodobenzene #;SCHEMBL172963;AMY6237;DTXSID30171338;MFCD00040871;AKOS009156492;PS-11929;CS-0109507;E0512;FT-0612285;EN300-646062;N11906;A812727

Chemical Property of 1-Ethyl-2-iodobenzene

Chemical Property:

• Appearance/Colour: colorless to slight yellow liquid
• Vapor Pressure: 0.122mmHg at 25°C
• Refractive Index: 1.5945-1.5965
• Boiling Point: 226.6 °C at 760 mmHg
• Flash Point: 97.6 °C
• PSA: 0.00000
• Density: 1.607 g/cm³
• LogP: 2.85360
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Light Sensitive
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 231.97490
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

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

1-Ethyl-2-iodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,C
• Statements: 36/38-36
• Safety Statements: 37/39-26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC=C1I

Technology Process of 1-Ethyl-2-iodobenzene

There total 11 articles about 1-Ethyl-2-iodobenzene 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: 85.0%

ortho-ethylaniline (578-54-1) → 1-ethyl-2-iodobenzene (18282-40-1)

Guidance literature:

ortho-ethylaniline; With sulfuric acid; sodium nitrite; In water; at -20 ℃; for 1h;

With potassium iodide; In water; at 20 ℃; for 18h;

Reference yield:

methyllithium (917-54-4) + n-butyl o-iodobenzyl telluride (141819-13-8) → 2-Ethyltoluene (611-14-3) + 1-ethyl-2-iodobenzene (18282-40-1) + 1-(2-Iodo-phenyl)-pentan-2-ol (141819-16-1)

Guidance literature:

With butyraldehyde; Yield given. Multistep reaction. Yields of byproduct given; 1.) hexane, Et₂O, -105 deg C, 15 min, 2.) hexane, Et₂O, from -105 deg C to RT;

DOI:10.1016/0022-328X(94)80107-X

Reference yield:

butyraldehyde (123-72-8) + n-butyl o-iodobenzyl telluride (141819-13-8) → 2-Ethyltoluene (611-14-3) + 1-ethyl-2-iodobenzene (18282-40-1) + 1-(2-Iodo-phenyl)-pentan-2-ol (141819-16-1)

Guidance literature:

With methyllithium; Yield given. Multistep reaction. Yields of byproduct given; 1.) hexane, Et₂O, -105 deg C, 15 min, 2.) hexane, Et₂O, from -105 deg C to RT;

DOI:10.1016/0022-328X(94)80107-X

upstream raw materials:

ortho-ethylaniline

(3-Ethyl-4-iodo-phenyl)-trimethyl-silane

methyllithium

n-butyl o-iodobenzyl telluride

Downstream raw materials:

cis-(1S,2R)-1,2-dihydroxy-3-ethyl-4-iodocyclohexa-3,5-diene

o-Hydroxyethylbenzene

3′-vinylbiphenyl-2-ol

1-ethyl-2-ethynylbenzene

Refernces

• 1、 -. "Method for preparing diazonium salt by utilizing micro-reactor". Paragraph 0024; 0025. . Retrieved 2016/11/24.
• 2、 Della Ca', Nicola,Sassi, Giovanni,Catellani, Marta. "A direct palladium-catalyzed route to selectively substituted carbazoles through sequential C-C and C-N bond formation: Synthesis of carbazomycin A". supporting information; scheme or table. p. 2179 - 2182. Retrieved 2009/10/02.