3,5-Diisopropylbromobenzene

Base Information

• Chemical Name: 3,5-Diisopropylbromobenzene
• CAS No.: 23058-81-3
• Molecular Formula: C12H17Br
• Molecular Weight: 241.171
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID60469730
• Wikidata: Q82297574
• Mol file: 23058-81-3.mol

Synonyms:3,5-Diisopropylbromobenzene;23058-81-3;1-bromo-3,5-diisopropylbenzene;1-bromo-3,5-di(propan-2-yl)benzene;1-BROMO-3,5-BIS(PROPAN-2-YL)BENZENE;MFCD12547791;SCHEMBL1989339;DTXSID60469730;VRKJTEHREIEDIE-UHFFFAOYSA-N;YAA05881;AC5680;AKOS026670868;1-bromo-3, 5-di(propan-2-yl)benzene;1-Bromo-3,5-bis(1-methylethyl)benzene;BS-50361;SY233032;Benzene, 1-bromo-3,5-bis(1-methylethyl)-;CS-0133000;FT-0750602;A918636

Chemical Property of 3,5-Diisopropylbromobenzene

Chemical Property:

• Boiling Point: 109-110 °C(Press: 4 Torr)
• PSA: 0.00000
• Density: 1.172±0.06 g/cm3(Predicted)
• LogP: 4.69590
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 240.05136
• Heavy Atom Count: 13
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-3,5-diisopropylbenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,5-Diisopropylbromobenzene

There total 6 articles about 3,5-Diisopropylbromobenzene 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: 97.0%

4-bromo-2,6-diisopropylaniline (80058-84-0) → 1-bromo-3,5-bis(propan-2-yl)benzene (23058-81-3)

Guidance literature:

With hydrogenchloride; hypophosphorous acid; sodium nitrite; In water; at 4 - 20 ℃; for 48h; Inert atmosphere;

DOI:10.1002/anie.202012760

Reference yield:

2,6-diisopropylbenzenamine (24544-04-5) → 1-bromo-3,5-bis(propan-2-yl)benzene (23058-81-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 97 percent / nBuNBr₃ / CH₂Cl₂ / 0.5 h / 20 °C

2.1: NaNO₂ / aq. HCl / -5 °C

2.2: 82 percent / aq. H₃PO₄ / 48 h / 4 - 20 °C

With nBuNBr₃; sodium nitrite; In hydrogenchloride; dichloromethane;

DOI:10.1002/ejoc.200600030

Reference yield:

3,5-diisopropylphenol (26886-05-5,3374-41-2) → 1-bromo-3,5-bis(propan-2-yl)benzene (23058-81-3)

Guidance literature:

With triphenylphosphine dibromide 1:1 addition complex; at 300 ℃;

DOI:10.1021/ja01034a014

upstream raw materials:

3,5-diisopropylphenol

1,3-diisopropylbenzene

4-bromo-2,6-diisopropylaniline

2,6-diisopropylbenzenamine

Downstream raw materials:

(3,5-diisopropyl-phenyl)-trimethyl-silane

2,4,6-tris(3,5-diisopropylphenyl)cyclotriboroxane

(3,5-diisopropylphenyl)boronic acid

3,5-Diisopropyl-benzylchlorid

Refernces

• 1、 Eschmann, Christian,Song, Lijuan,Schreiner, Peter R.. "London Dispersion Interactions Rather than Steric Hindrance Determine the Enantioselectivity of the Corey–Bakshi–Shibata Reduction". supporting information. p. 4823 - 4832. Retrieved 2021/02/01.
• 2、 -. "SULFONAMIDE DERIVATIVES AND USES THEREOF". Paragraph 0805; 0813. . Retrieved 2020/12/30.