1-Bromo-2-(tert-butoxy)benzene

Base Information

• Chemical Name: 1-Bromo-2-(tert-butoxy)benzene
• CAS No.: 344296-29-3
• Molecular Formula: C10H13BrO
• Molecular Weight: 229.117
• European Community (EC) Number: 893-374-7
• Nikkaji Number: J2.536.579H
• Mol file: 344296-29-3.mol

Synonyms:1-Bromo-2-(tert-butoxy)benzene;344296-29-3;1-bromo-2-[(2-methylpropan-2-yl)oxy]benzene;MFCD18917786;1-bromo-2-tert-butoxybenzene;1-Bromo-2-(t-butoxy)benzene;SCHEMBL4187983;AKOS027325176;BS-16572;SY244485;Benzene, 1-bromo-2-(1,1-dimethylethoxy)-;CS-0161772;EN300-716364;F50546

Chemical Property of 1-Bromo-2-(tert-butoxy)benzene

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 228.01498
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC1=CC=CC=C1Br

Technology Process of 1-Bromo-2-(tert-butoxy)benzene

There total 3 articles about 1-Bromo-2-(tert-butoxy)benzene 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: 99.0%

2-hydroxybromobenzene (95-56-7) + isobutene (115-11-7,15220-85-6) → 1-bromo-2-(tert-butoxy)benzene (344296-29-3)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at -78 ℃; for 4h;

DOI:10.1021/ja076588s

Reference yield: 86.0%

2-hydroxybromobenzene (95-56-7) + di-tert-butyl dicarbonate (24424-99-5) → 1-bromo-2-(tert-butoxy)benzene (344296-29-3)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In n-heptane; at 20 ℃; Inert atmosphere; Large scale;

DOI:10.1021/acs.joc.7b03022

Reference yield: 81.0%

tert-Butyl 2,2,2-trichloroacetimidate (98946-18-0) + 2-hydroxybromobenzene (95-56-7) → 1-bromo-2-(tert-butoxy)benzene (344296-29-3)

Guidance literature:

With C₇H₉N*C₂HF₆NO₄S₂; In fluorobenzene; at 20 ℃; for 15h; Reagent/catalyst; Solvent; Catalytic behavior;

DOI:10.1021/acs.joc.1c00193

upstream raw materials:

2-hydroxybromobenzene

isobutene

di-tert-butyl dicarbonate

tert-Butyl 2,2,2-trichloroacetimidate

Downstream raw materials:

2,2-dimethyl-2,3-dihydro-1-benzofuran

C₂₃H₂₃N₂O₂⁽¹⁺⁾*Cl^(1-)

C₃₁H₃₀N₃O₄⁽¹⁺⁾*Cl^(1-)

C₃₀H₂₇N₄O₆⁽¹⁺⁾*Cl^(1-)