[(4-Bromo-3-methylbutoxy)methyl]benzene

Base Information

• Chemical Name: [(4-Bromo-3-methylbutoxy)methyl]benzene
• CAS No.: 87974-13-8
• Molecular Formula: C₁₂H₁₇BrO
• Molecular Weight: 257.17
• DSSTox Substance ID: DTXSID10601628
• Mol file: 87974-13-8.mol

Synonyms:[(4-bromo-3-methylbutoxy)methyl]benzene;87974-13-8;(4-bromo-3-methylbutoxy)methylbenzene;SCHEMBL9841232;DTXSID10601628;EN300-673872

Chemical Property of [(4-Bromo-3-methylbutoxy)methyl]benzene

Chemical Property:

• Boiling Point: 298.0±23.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.235±0.06 g/cm3(Predicted)
• LogP: 3.62430
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 256.04628
• Heavy Atom Count: 14
• Complexity: 132

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCOCC1=CC=CC=C1)CBr

Technology Process of [(4-Bromo-3-methylbutoxy)methyl]benzene

There total 3 articles about [(4-Bromo-3-methylbutoxy)methyl]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:

(((3-methylbut-3-en-1-yl)oxy)methyl)benzene (58558-53-5) → 4-Bromo-3-methylbutyl benzyl ether (87974-13-8)

Guidance literature:

With sodium tetrahydroborate; boron trifluoride diethyl etherate; bromine; sodium methylate; Yield given. Multistep reaction; 1.) THF, 20 deg C, 15 min; 2.) MeOH, 20 deg C, 20 min;

DOI:10.1055/s-1983-30520

Reference yield:

2-methyl-1-buten-4-ol (763-32-6) → 4-Bromo-3-methylbutyl benzyl ether (87974-13-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH / 1.) THF, reflux, 2 h; 2.) reflux, 5 h

2: 1.) NaBH₄, BF₃*Et₂O; 2.) Br₂, CH₃ONa / 1.) THF, 20 deg C, 15 min; 2.) MeOH, 20 deg C, 20 min

With sodium tetrahydroborate; boron trifluoride diethyl etherate; bromine; sodium methylate; sodium hydride;

DOI:10.1055/s-1983-30520

Reference yield:

benzyl chloride (100-44-7) → 4-Bromo-3-methylbutyl benzyl ether (87974-13-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH / 1.) THF, reflux, 2 h; 2.) reflux, 5 h

2: 1.) NaBH₄, BF₃*Et₂O; 2.) Br₂, CH₃ONa / 1.) THF, 20 deg C, 15 min; 2.) MeOH, 20 deg C, 20 min

With sodium tetrahydroborate; boron trifluoride diethyl etherate; bromine; sodium methylate; sodium hydride;

DOI:10.1055/s-1983-30520

upstream raw materials:

(((3-methylbut-3-en-1-yl)oxy)methyl)benzene

2-methyl-1-buten-4-ol

benzyl chloride

Downstream raw materials:

(3,5,9-Trimethyl-5-vinyl-dec-8-enyloxymethyl)-benzene

3,7,11-Trimethyl-6,10(Z)-dodecadien-1-yl benzyl ether

((E)-3,7,11-Trimethyl-dodeca-6,10-dienyloxymethyl)-benzene