(4-(Bromomethyl)phenyl)(cyclopropyl)methanone

Base Information

• Chemical Name: (4-(Bromomethyl)phenyl)(cyclopropyl)methanone
• CAS No.: 35981-66-9
• Molecular Formula: C11H11BrO
• Molecular Weight: 239.112
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID701262646
• Mol file: 35981-66-9.mol

Synonyms:(4-(Bromomethyl)phenyl)(cyclopropyl)methanone;35981-66-9;[4-(bromomethyl)phenyl]-cyclopropylmethanone;Methanone, [4-(bromomethyl)phenyl]cyclopropyl-;SCHEMBL3676771;RWDFDRURELYOOX-UHFFFAOYSA-N;DTXSID701262646;MFCD11919506;AKOS022188421;DS-9080;[4-(Bromomethyl)phenyl]cyclopropylmethanone;(4-Bromomethyl-phenyl)-cyclopropyl-methanone;C74852;A874477

Chemical Property of (4-(Bromomethyl)phenyl)(cyclopropyl)methanone

Chemical Property:

• PSA: 17.07000
• LogP: 3.17420
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 237.99933
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

(4-(Bromomethyl)phenyl)(cyclopropyl)methanone 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)C2=CC=C(C=C2)CBr

Technology Process of (4-(Bromomethyl)phenyl)(cyclopropyl)methanone

There total 5 articles about (4-(Bromomethyl)phenyl)(cyclopropyl)methanone 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:

4-Chloro-1-(4-isopropyl-phenyl)-butan-1-one (70289-38-2) → (4-Bromomethyl-phenyl)-cyclopropyl-methanone (35981-66-9)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; at 5 ℃; for 7.5h;

Reference yield:

cyclopropyl-p-tolyl-methanone (7143-76-2) + phosphonic acid diethyl ester (762-04-9) → (4-Bromomethyl-phenyl)-cyclopropyl-methanone (35981-66-9)

Guidance literature:

cyclopropyl-p-tolyl-methanone; With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In chlorobenzene; at 85 ℃; for 3h; Inert atmosphere;

phosphonic acid diethyl ester; With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → (4-Bromomethyl-phenyl)-cyclopropyl-methanone (35981-66-9)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: NBS / Irradiation

With N-Bromosuccinimide; aluminium trichloride;

DOI:10.1021/jm00263a015

upstream raw materials:

cyclopropyl-p-tolyl-methanone

toluene

4-Chloro-1-(4-isopropyl-phenyl)-butan-1-one

phosphonic acid diethyl ester

Downstream raw materials:

(4-cyclopropanecarbonyl-phenyl)-acetonitrile

Trisamin

2,3-Bis-(4-cyclopropanecarbonyl-phenyl)-propionic acid

Isopropyl-p-(cyclopropylcarbonyl)phenylacetat

Refernces

• 1、 -. "Intermediates useful for the preparation of antihistaminic piperidine derivatives". Page column. . Retrieved 2010/01/30.