2-Bromo-4-iodoanisole

Base Information

• Chemical Name: 2-Bromo-4-iodoanisole
• CAS No.: 182056-39-9
• Molecular Formula: C7H6BrIO
• Molecular Weight: 312.933
• Hs Code.: 2909309090
• European Community (EC) Number: 858-434-9
• DSSTox Substance ID: DTXSID80391928
• Nikkaji Number: J2.092.309A
• Wikidata: Q82189742
• Mol file: 182056-39-9.mol

Synonyms:2-Bromo-4-iodoanisole;182056-39-9;2-bromo-4-iodo-1-methoxybenzene;Benzene, 2-bromo-4-iodo-1-methoxy-;MFCD03425935;2-bromo-4-iodo-1-methoxy-benzene;SCHEMBL2498828;DTXSID80391928;YIQMMXVWWSWNGR-UHFFFAOYSA-N;AMY28426;GEO-02666;AKOS009255805;AS-10693;SY239598;CS-0097745;FT-0704725;EN300-1241756;AS-813/11402036;W-200179;Z362776936

Chemical Property of 2-Bromo-4-iodoanisole

Chemical Property:

• Melting Point: 80-82 °C(Solv: hexane (110-54-3); toluene (108-88-3))
• Boiling Point: 285.1±30.0 °C(Predicted)
• PSA: 9.23000
• Density: 2.062±0.06 g/cm3(Predicted)
• LogP: 3.06230
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 311.86467
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-4-iodoanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)I)Br

Technology Process of 2-Bromo-4-iodoanisole

There total 9 articles about 2-Bromo-4-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: 94.0%

2-bromo-4-iodo-phenol (133430-98-5) + methyl iodide (74-88-4) → 2-bromo-4-iodo-1-methoxybenzene (182056-39-9)

Guidance literature:

With sodium carbonate; In acetone; at 20 ℃; for 20h;

Reference yield: 93.0%

para-iodoanisole (696-62-8) → 2-bromo-4-iodo-1-methoxybenzene (182056-39-9)

Guidance literature:

para-iodoanisole; With tetrahydrofuran; 2,2,6,6-tetramethyl-piperidine; n-butyllithium; 2,2,6,6-tetramethylpiperidinyl-lithium; diisobutylaluminum chloride; In hexane; at 20 ℃; for 12h; Inert atmosphere;

With N-Bromosuccinimide; at 0 - 20 ℃; for 12h; regioselective reaction; Inert atmosphere;

DOI:10.1039/c2cc30795b

Reference yield: 92.0%

2-bromoanisole (578-57-4) → 2-bromo-4-iodo-1-methoxybenzene (182056-39-9)

Guidance literature:

With N-iodo-succinimide; [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); In dichloromethane; toluene; at 20 ℃; for 14h; regioselective reaction;

DOI:10.1055/s-0033-1340321

upstream raw materials:

para-iodoanisole

2-bromoanisole

4-methoxy-aniline

2-bromo-4-iodo-phenol

Downstream raw materials:

(E)-N-(3-bromo-4-hydroxyphenethyl)-3-(3-bromo-4-methoxyphenyl)acrylamide

(E)-3-(3-bromo-4-methoxyphenyl)-N-(3,5-dibromo-4-hydroxyphenethyl)acrylamide

(E)-3-(3-bromo-4-methoxyphenyl)-N-(4-hydroxyphenethyl)acrylamide

3,3-bis(3-bromo-4-methoxyphenyl)-N-(4-hydroxyphenethyl)acrylamide