1-Ethyl-2-iodo-3-methylbenzene

Base Information

• Chemical Name: 1-Ethyl-2-iodo-3-methylbenzene
• CAS No.: 175277-95-9
• Molecular Formula: C9H11I
• Molecular Weight: 246.091
• Hs Code.: 29039990
• DSSTox Substance ID: DTXSID80370152
• Nikkaji Number: J2.576.570B
• Wikidata: Q82157454
• Mol file: 175277-95-9.mol

Synonyms:1-ethyl-2-iodo-3-methylbenzene;175277-95-9;2-Ethyl-6-Methyliodobenzene;Benzene, 1-ethyl-2-iodo-3-methyl-;3-Ethyl-2-iodotoluene;SCHEMBL1517219;1-Methyl-2-iodo-3-ethylbenzene;DTXSID80370152;Benzene, 1-ethyl-3-methyl-2-iodo;MFCD00052855;AKOS015908739;AS-61581;CS-0318417;FT-0607740;EN300-7654406;A881596;J-011097

Chemical Property of 1-Ethyl-2-iodo-3-methylbenzene

Chemical Property:

• Appearance/Colour: clear yellow to red-brown liquid
• Vapor Pressure: 0.0462mmHg at 25°C
• Melting Point: 28°C (estimate)
• Refractive Index: 1.59-1.592
• Boiling Point: 245 °C at 760 mmHg
• Flash Point: 107.1 °C
• PSA: 0.00000
• Density: 1.532 g/cm³
• LogP: 3.16200
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• 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: 101

Purity/Quality:

99% ^*data from raw suppliers

1-Ethyl-2-iodo-3-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC(=C1I)C

Technology Process of 1-Ethyl-2-iodo-3-methylbenzene

There total 1 articles about 1-Ethyl-2-iodo-3-methylbenzene 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: 51.8%

6-ethyl-o-toluidine (24549-06-2) → 2-methyl-6-ethylphenyl iodide (175277-95-9)

Guidance literature:

6-ethyl-o-toluidine; With hydrogenchloride; sodium nitrite; at 0 - 5 ℃; for 0.5h;

With potassium iodide; at 0 - 20 ℃;

DOI:10.1248/cpb.54.873

Reference yield: 99.0%

2-methyl-6-ethylphenyl iodide (175277-95-9) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl (2E)-3-(2-ethyl-6-methylphenyl)prop-2-enoate

Guidance literature:

With N-Methyldicyclohexylamine; 2C₃₂H₄₁O₄P*Pd⁽²⁺⁾*2Cl^(1-); In N,N-dimethyl acetamide; at 100 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.tet.2016.08.087

Reference yield: 99.0%

2-methyl-6-ethylphenyl iodide (175277-95-9) + thiophenol (108-98-5) → 2-ethyl-6-methylphenyl phenyl sulfide (1286763-72-1)

Guidance literature:

With copper(I) oxide; potassium hydroxide; In 1,4-dioxane; at 110 ℃; for 9h; Inert atmosphere;

DOI:10.1002/ejoc.201001667

upstream raw materials:

6-ethyl-o-toluidine

Downstream raw materials:

methyl (Z)-2-acetamido-3-(2'-ethyl-6'-methylphenyl)-2-propenoate

methyl 2-(2-((2-ethyl-6-methylphenyl)ethynyl)phenyl)acetate

methyl 2-((2-ethyl-6-methylphenyl)ethynyl)benzoate

N-acetyl-2'-ethyl-6'-methyl-L-phenylalanine methyl ester

Refernces