2-Chloro-5-iodoanisole

Base Information

• Chemical Name: 2-Chloro-5-iodoanisole
• CAS No.: 161949-50-4
• Molecular Formula: C7H6 Cl I O
• Molecular Weight: 268.482
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID70469029
• Nikkaji Number: J2.289.138C
• Wikidata: Q82296595
• Mol file: 161949-50-4.mol

Synonyms:2-Chloro-5-iodoanisole;161949-50-4;1-chloro-4-iodo-2-methoxybenzene;Benzene, 1-chloro-4-iodo-2-methoxy-;2-Chloro-5-iodo-1-methoxybenzene;SCHEMBL4686356;DTXSID70469029;JFOAEMJHYWJFHL-UHFFFAOYSA-N;MFCD00672968;AKOS016001381;CS-0041284;FT-0687019;A19908;EN300-234163

Chemical Property of 2-Chloro-5-iodoanisole

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Melting Point: 39-40 °C
• Refractive Index: 1.604
• Boiling Point: 275.297°C at 760 mmHg
• Flash Point: 120.296°C
• PSA: 9.23000
• Density: 1.821g/cm³
• LogP: 2.95320
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 267.91519
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5-iodoanisole 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)I)Cl

Technology Process of 2-Chloro-5-iodoanisole

There total 1 articles about 2-Chloro-5-iodoanisole 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: 84.0%

4-chloro-m-anisidine (13726-14-2) → 1-chloro-4-iodo-2-methoxybenzene (161949-50-4)

Guidance literature:

4-chloro-m-anisidine; With sodium nitrite; In hydrogenchloride; at 0 ℃; for 0.5h;

With potassium iodide; In hydrogenchloride; at 20 ℃; for 72h; Further stages.;

DOI:10.1039/b514233d

Reference yield: 87.0%

1-chloro-4-iodo-2-methoxybenzene (161949-50-4) → 2-chloro-5-iodophenol (289039-26-5)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 20 ℃; for 72h;

Reference yield: 74.0%

1-chloro-4-iodo-2-methoxybenzene (161949-50-4) + 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one (755027-16-8) → 3-(4-chloro-3-methoxyphenyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

Guidance literature:

With cesium fluoride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol; 1,2-dimethoxyethane; Heating;

DOI:10.1021/jm070105d

upstream raw materials:

4-chloro-m-anisidine

Downstream raw materials:

methyl (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-methoxymethylidene-3-methylhexa-3,5-dienoate

2-chloro-5-iodophenol