BENZENE, 2-BROMO-1-IODO-3-METHYL-

Base Information

• Chemical Name: BENZENE, 2-BROMO-1-IODO-3-METHYL-
• CAS No.: 888214-21-9
• Molecular Formula: C₇H₆BrI
• Molecular Weight: 296.933
• Hs Code.: 2903999090
• Mol file: 888214-21-9.mol

Synonyms:2-Bromo-3-iodotoluene;2-bromanyl-1-iodanyl-3-methyl-benzene;Benzene,2-bromo-1-iodo-3-methyl;

Chemical Property of BENZENE, 2-BROMO-1-IODO-3-METHYL-

Chemical Property:

• Boiling Point: 268.6±20.0 °C(Predicted)
• PSA: 0.00000
• Density: 2.062±0.06 g/cm3(Predicted)
• LogP: 3.36210
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-3-iodotoluene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BENZENE, 2-BROMO-1-IODO-3-METHYL-

There total 6 articles about BENZENE, 2-BROMO-1-IODO-3-METHYL- 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: 87.0%

2-bromo-3-methylaniline (54879-20-8) → 1-bromo-6-iodo-2-methylbenzene (888214-21-9)

Guidance literature:

2-bromo-3-methylaniline; With sulfuric acid; In dimethyl sulfoxide; at 50 ℃; for 2h;

With sodium nitrite; In dimethyl sulfoxide; for 1h; Cooling with ice;

With sodium iodide; In dimethyl sulfoxide; for 1h;

Reference yield: 60.0%

tert-butyl ((2H-spiro[benzofuran-3,4'-piperidin]-5-yl)methyl)carbamate (1313498-37-1) + Benzooxaborol-1-ol → 1-bromo-6-iodo-2-methylbenzene (888214-21-9)

Guidance literature:

With dmap; In dichloromethane;

Reference yield: 34.0%

3-Iodotoluene (625-95-6) → 1-bromo-6-iodo-2-methylbenzene (888214-21-9) + 4-bromo-3-iodo-toluene + 1-bromo-4-iodo-2-methylbenzene (202865-85-8)

Guidance literature:

With N-Bromosuccinimide; trityl tetrafluoroborate; In dichloromethane; acetonitrile; at 20 ℃; Overall yield = 75 %; Inert atmosphere;

DOI:10.1002/adsc.201800788

upstream raw materials:

2-bromo-3-methylaniline

tert-butyl ((2H-spiro[benzofuran-3,4'-piperidin]-5-yl)methyl)carbamate

3-Iodotoluene

2-bromo-3-nitrotoluene

Refernces

• 1、 -. "Novel method for preparing 3-iodo-2-bromotoluene". Paragraph 0035-0037. . Retrieved 2021/08/07.
• 2、 -. "PD-L1 ANTAGONIST COMPOUND". Paragraph 0117-0118. . Retrieved 2022/01/03.