4-(Benzyloxy)-2-bromo-1-methylbenzene

Base Information

• Chemical Name: 4-(Benzyloxy)-2-bromo-1-methylbenzene
• CAS No.: 60710-40-9
• Molecular Formula: C14H13BrO
• Molecular Weight: 277.15642
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID70447382
• Wikidata: Q82266247
• Mol file: 60710-40-9.mol

Synonyms:4-(BENZYLOXY)-2-BROMO-1-METHYLBENZENE;60710-40-9;2-Bromo-1-methyl-4-(phenylmethoxy)benzene;2-bromo-1-methyl-4-phenylmethoxybenzene;DTXSID70447382;MFCD09260893;AKOS015839423;BS-28986;CS-0208529;FT-0749715;E98606;A868904

Chemical Property of 4-(Benzyloxy)-2-bromo-1-methylbenzene

Chemical Property:

• Boiling Point: 352 °C at 760 mmHg
• Flash Point: 143.7 °C
• PSA: 9.23000
• Density: 1.341 g/cm³
• LogP: 4.33650
• Storage Temp.: Room temperature.
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 276.01498
• Heavy Atom Count: 16
• Complexity: 201

Purity/Quality:

98%Min ^*data from raw suppliers

4-(Benzyloxy)-2-bromo-1-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)OCC2=CC=CC=C2)Br

Technology Process of 4-(Benzyloxy)-2-bromo-1-methylbenzene

There total 3 articles about 4-(Benzyloxy)-2-bromo-1-methylbenzene 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: 96.0%

3-bromo-p-cresol (60710-39-6) + benzyl chloride (100-44-7) → 4-Benzyloxy-2-bromo-1-methyl-benzene (60710-40-9)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; at 40 ℃;

DOI:10.1021/jacs.5b11120

Reference yield: 88.0%

3-bromo-p-cresol (60710-39-6) + benzyl bromide (100-39-0) → 4-Benzyloxy-2-bromo-1-methyl-benzene (60710-40-9)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Cooling with ice;

Reference yield:

2-bromo-p-cresol (6627-55-0) + benzyl chloride (100-44-7) → 4-Benzyloxy-2-bromo-1-methyl-benzene (60710-40-9)

Guidance literature:

Multistep reaction; (i) AlCl₃, (ii) /BRN= 471308/, K₂CO₃, EtOH;

DOI:10.1002/jlcr.2580120116

upstream raw materials:

2-bromo-p-cresol

benzyl chloride

3-bromo-p-cresol

benzyl bromide

Downstream raw materials:

4-Benzyloxy-β-nitrostyrol-2-T

4-Benzyloxybenzyl-2-T-alkohol

4-Benzyloxybenzyl-2-T-chlorid

4-Benzyloxybenzoesaeure-2-T

Refernces

• 1、 -. "BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME". Paragraph 0616; 0617. . Retrieved 2018/08/07.
• 2、 Deng, Lin,Xu, Tao,Li, Hongbo,Dong, Guangbin. "Enantioselective Rh-Catalyzed Carboacylation of C=N Bonds via C-C Activation of Benzocyclobutenones". supporting information. p. 369 - 374. Retrieved 2016/01/26.