2-Bromo-3-isopropyltoluene

Base Information

• Chemical Name: 2-Bromo-3-isopropyltoluene
• CAS No.: 65232-56-6
• Molecular Formula: C₁₀H₁₃Br
• Molecular Weight: 213.117
• DSSTox Substance ID: DTXSID801271066
• Mol file: 65232-56-6.mol

Synonyms:65232-56-6;2-Bromo-3-isopropyltoluene;2-bromo-1-isopropyl-3-methylbenzene;Benzene, 2-bromo-1-methyl-3-(1-methylethyl)-;SCHEMBL61794;2-isopropyl-6-methyl-bromobenzene;DLYTXCBACOLGKH-UHFFFAOYSA-N;DTXSID801271066;1-bromo-2-isopropyl-6-methylbenzene;GS2674;2-bromo-1-methyl-3-propan-2-ylbenzene;2-Bromo-1-methyl-3-(1-methylethyl)benzene;F95439

Chemical Property of 2-Bromo-3-isopropyltoluene

Chemical Property:

• PSA: 0.00000
• LogP: 3.88090
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 212.02006
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(C)C)Br

Technology Process of 2-Bromo-3-isopropyltoluene

There total 1 articles about 2-Bromo-3-isopropyltoluene 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:

2-isopropyl-6-methylaniline (5266-85-3) → 2-isopropyl-6-methyl-bromobenzene (65232-56-6)

Guidance literature:

copper(I) bromide;

Reference yield:

2-isopropyl-6-methyl-bromobenzene (65232-56-6) → BF4(1-)*C10H12BrN2(1+)

Guidance literature:

Multi-step reaction with 3 steps

1: nitric acid; acetic acid / 1 h / 0 - 90 °C / Cooling with ice

2: iron; acetic acid / ethanol / 2 h / Heating / reflux

3: tetrafluoroboric acid; sodium nitrite / water / 1 h / 0 °C

With tetrafluoroboric acid; nitric acid; iron; acetic acid; sodium nitrite; In ethanol; water;

upstream raw materials:

2-isopropyl-6-methylaniline