((3-Bromo-2-methylpropoxy)methyl)benzene

Base Information

• Chemical Name: ((3-Bromo-2-methylpropoxy)methyl)benzene
• CAS No.: 91273-58-4
• Molecular Formula: C11H15BrO
• Molecular Weight: 243.14
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID70370747
• Mol file: 91273-58-4.mol

Synonyms:((3-Bromo-2-methylpropoxy)methyl)benzene;91273-58-4;(3-bromo-2-methylpropoxy)methylbenzene;3-BENZYLOXY-1-BROMO-2-METHYLPROPANE;[(3-BROMO-2-METHYLPROPOXY)METHYL]BENZENE;SCHEMBL6947537;DTXSID70370747;QVIBBFFDRDHFSJ-UHFFFAOYSA-N;MFCD01075209;AKOS009158493;DS-4049;CS-0154073;rac. 3-benzyloxy-2-methyl-1-propyl bromide;C77116;EN300-198742

Chemical Property of ((3-Bromo-2-methylpropoxy)methyl)benzene

Chemical Property:

• Boiling Point: 264 °C at 760 mmHg
• Flash Point: 114.5 °C
• PSA: 9.23000
• Density: 1.268 g/cm³
• LogP: 3.23420
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 242.03063
• Heavy Atom Count: 13
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

((3-Bromo-2-methylpropoxy)methyl)benzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COCC1=CC=CC=C1)CBr

Technology Process of ((3-Bromo-2-methylpropoxy)methyl)benzene

There total 3 articles about ((3-Bromo-2-methylpropoxy)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: 94.0%

3-(benzyloxy)-2-methylpropan-1-ol (63930-46-1,63930-49-4,56850-59-0,64839-09-4) → 3-benzyloxy-2-methyl-1-propyl bromide (91273-58-4)

Guidance literature:

With 1H-imidazole; carbon tetrabromide; triphenylphosphine; In toluene; at 20 ℃; for 14h; Inert atmosphere; Cooling with ice;

DOI:10.1021/ml500511m

Reference yield:

3-(benzyloxy)-2-methylpropan-1-ol (63930-46-1,63930-49-4,56850-59-0,64839-09-4) + methanesulfonyl chloride (124-63-0) → 3-benzyloxy-2-methyl-1-propyl bromide (91273-58-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane;

Reference yield:

→ 3-benzyloxy-2-methyl-1-propyl bromide (91273-58-4)

Guidance literature:

upstream raw materials:

3-(benzyloxy)-2-methylpropan-1-ol

methanesulfonyl chloride

Downstream raw materials:

4-benzyloxy-3-methylbutyronitrile

3-benzyloxy-2-methyl-1-propylmagnesium bromide

Refernces

• 1、 -. "ACYLOXYKETONE SUBSTITUTED IMINO AND AMINO ACIDS". . . Retrieved 2008/06/13.