1-Bromo-3,5-dimethyl-2-propan-2-yloxybenzene

Base Information

• Chemical Name: 1-Bromo-3,5-dimethyl-2-propan-2-yloxybenzene
• CAS No.: 95717-62-7
• Molecular Formula: C₁₁H₁₅BrO
• Molecular Weight: 243.143
• DSSTox Substance ID: DTXSID401245718
• Mol file: 95717-62-7.mol

Synonyms:1-Bromo-3,5-dimethyl-2-propan-2-yloxybenzene;95717-62-7;1-Bromo-2-isopropoxy-3,5-dimethylbenzene;SCHEMBL12440967;DTXSID401245718;MFCD16322302;AB91679;CS-0194542;E91128;1-Bromo-3,5-dimethyl-2-(1-methylethoxy)benzene;1-bromo-3,5-dimethyl-2-(propan-2-yloxy)benzene

Chemical Property of 1-Bromo-3,5-dimethyl-2-propan-2-yloxybenzene

Chemical Property:

• Boiling Point: 273.7±35.0 °C (760 mmHg)
• PSA: 9.23000
• Density: 1.243±0.06 g/cm3 (20 °C, 760 mmHg)
• LogP: 3.85310
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 242.03063
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-3,5-dimethyl-2-propan-2-yloxybenzene 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Bromo-3,5-dimethyl-2-propan-2-yloxybenzene

There total 2 articles about 1-Bromo-3,5-dimethyl-2-propan-2-yloxybenzene 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: 32.2%

6-acetoxy-2-bromo-4,6-dimethylcyclohexa-2,4-dien-1-one (90841-66-0) + isopropylmagnesium bromide (920-39-8) → 2-bromo-4,6-dimethylphenol (15191-36-3) + 2-bromo-2,6-dimethylphenyl isopropyl ether (95717-62-7) + 2-bromo-4,6-dimethyl-3-isopropylphenol (95717-60-5)

Guidance literature:

In diethyl ether; for 18h; Ambient temperature;

DOI:10.1021/jo00352a009

Reference yield: 22.0%

2-bromo-4,6-dimethylphenol (15191-36-3) + isopropyl bromide (75-26-3) → 2-bromo-2,6-dimethylphenyl isopropyl ether (95717-62-7)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; for 1h; Ambient temperature;

DOI:10.1021/jo00352a009

upstream raw materials:

6-acetoxy-2-bromo-4,6-dimethylcyclohexa-2,4-dien-1-one

isopropylmagnesium bromide

2-bromo-4,6-dimethylphenol

isopropyl bromide

Refernces

• 1、 Miller, Bernard,Haggerty, John G.. "Reactions of Halogenated o-Quinol Acetates with Isopropylmagnesium Bromide and Di-isopropylmagnesium. Mechanism for Formation of Ethers, Reduction Products, and m-Isopropylphenols". . p. 1617 - 1619. Retrieved 2007/10/02.