1-Bromo-3-iodo-2-methylbenzene

Base Information

• Chemical Name: 1-Bromo-3-iodo-2-methylbenzene
• CAS No.: 97456-81-0
• Molecular Formula: C7H6 Br I
• Molecular Weight: 296.933
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID70540165
• Wikidata: Q82416072
• Mol file: 97456-81-0.mol

Synonyms:1-Bromo-3-iodo-2-methylbenzene;97456-81-0;2-Bromo-6-iodotoluene;MFCD07780672;1-bromo-3-iodo-2-methyl-benzene;Benzene, 1-bromo-3-iodo-2-methyl-;SCHEMBL7610994;DTXSID70540165;DAHKMTOSYFBPOX-UHFFFAOYSA-N;AMY28388;Benzene,1-bromo-3-iodo-2-methyl-;AKOS015834925;AS-20100;SY065795;CS-0030482;EN300-3536589

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

Chemical Property:

• Boiling Point: 265.5±28.0 °C(Predicted)
• PSA: 0.00000
• Density: 2.062±0.06 g/cm3(Predicted)
• LogP: 3.36210
• Storage Temp.: Refrigerated.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 295.86976
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1I)Br

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

There total 1 articles about 1-Bromo-3-iodo-2-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: 98.1%

3-bromo-2-methylaniline (55289-36-6) → 1-bromo-3-iodo-2-methylbenzene (97456-81-0)

Guidance literature:

3-bromo-2-methylaniline; With toluene-4-sulfonic acid; In water; acetonitrile; at 0 - 5 ℃; for 0.166667h; Inert atmosphere;

With sodium nitrite; In water; acetonitrile; at 0 - 5 ℃; for 0.5h; Inert atmosphere;

With potassium iodide; In water; acetonitrile; at 0 - 20 ℃; Inert atmosphere;

Reference yield: 95.0%

2-triethylsilylacetylene (1777-03-3) + 1-bromo-3-iodo-2-methylbenzene (97456-81-0) → C15H21BrSi

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

Reference yield: 92.0%

1-bromo-3-iodo-2-methylbenzene (97456-81-0) + benzonitrile (100-47-0) → 4-bromo-2-phenyl-1H-indole (1244651-87-3)

Guidance literature:

With potassium tert-butylate; copper(II) sulfate; In octane; tert-butyl alcohol; at 60 ℃; for 40h; Schlenk technique; Inert atmosphere; Sealed tube;

upstream raw materials:

3-bromo-2-methylaniline

Downstream raw materials:

C₁₆H₁₄BrNO₂

{6-[2-(2-Amino-ethyl)-3-bromo-phenyl]-benzo[1,3]dioxol-5-yl}-methanol

6-(3-Bromo-2-bromomethyl-phenyl)-benzo[1,3]dioxole-5-carboxylic acid methyl ester

6-(3-Bromo-2-cyanomethyl-phenyl)-benzo[1,3]dioxole-5-carboxylic acid methyl ester

Refernces

• 1、 -. "Novel tricyclic aromatic heterocyclic compound as well as preparation method thereof, pharmaceutical composition and application thereof". Paragraph 0166; 0183-0185. . Retrieved 2021/03/11.