4'-Benzyloxy-2-bromopropiophenone

Base Information

• Chemical Name: 4'-Benzyloxy-2-bromopropiophenone
• CAS No.: 35081-45-9
• Molecular Formula: C16H15BrO2
• Molecular Weight: 319.198
• Hs Code.: 2914700090
• European Community (EC) Number: 252-351-6
• NSC Number: 321048
• DSSTox Substance ID: DTXSID701245048
• Nikkaji Number: J32.013G
• Mol file: 35081-45-9.mol

Synonyms:35081-45-9;4'-Benzyloxy-2-bromopropiophenone;2-bromo-4'-benzyloxypropiophenone;4'-(Benzyloxy)-2-bromopropiophenone;1-(4-(benzyloxy)phenyl)-2-bromopropan-1-one;1-Propanone, 2-bromo-1-[4-(phenylmethoxy)phenyl]-;1-[4-(benzyloxy)phenyl]-2-bromopropan-1-one;C16H15BrO2;2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one;4-(benzyloxy)-2-bromopropiophenone;EINECS 252-351-6;1-[4-(benzyloxy)phenyl]-2-bromo-1-propanone;1-Propanone, 2-bromo-1-(4-(phenylmethoxy)phenyl)-;NSC321048;1-(4-benzyloxyphenyl)-2-bromopropan-1-one;1-(4-benzyloxyphenyl)-2-bromo-propan-1-one;SCHEMBL103047;AM931;DTXSID701245048;4'-benzyloxy-2-bromo-propiophenone;BCP30672;MFCD00017862;4'-Benzyloxy-alpha-bromopropiophenone;AKOS005172575;AB92068;NSC 321048;NSC-321048;AS-15661;B5990;BB 0258538;CS-0064620;FT-0639229;1-(4-benzyloxyphenyl)-2-bromo-propane-1-one;1-(4-Benzyloxy-phenyl)-2-bromo-propan-1-one;1-(4-Benzyloxy-phenyl)-2-bromo-propane-1-one;A23206;2-Bromo-1-[4-(phenylmethoxy)phenyl]-1-propanone;J-514495;2-Bromo-1-4-(phenylmethoxylphenyl)-1-propanone;2-Bro-mo-4 inverted exclamation mark -(benzyloxy)propiophenone;4-(Benzyloxy)phenyl-bromoethylketone

Chemical Property of 4'-Benzyloxy-2-bromopropiophenone

Chemical Property:

• Melting Point: 71-76℃
• Boiling Point: 424.6°Cat760mmHg
• Flash Point: 210.6°C
• PSA: 26.30000
• Density: 1.354g/cm³
• LogP: 4.23170
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Soluble in Methylene chloride, sparingly soluble in methanol & acetone. Insoluble in water
• Water Solubility.: Soluble in water (2.342g/L at 25°C ).
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 318.02554
• Heavy Atom Count: 19
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

4''-(Benzyloxy)-2-bromopropiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)Br
• Uses: 4'-(Benzyloxy)-2-bromopropiophenone is an intermediate in the preparation of Bazedoxifene acetate (B129250). 4'-Benzyloxy-2-bromopropiophenone is an intermediate in the preparation of Bazedoxifene acetate.

Technology Process of 4'-Benzyloxy-2-bromopropiophenone

There total 9 articles about 4'-Benzyloxy-2-bromopropiophenone 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: 97.0%

4-benzyloxypropiophenone (4495-66-3) → 1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone (35081-45-9)

Guidance literature:

With bromine; In acetic acid; at 0 - 20 ℃; for 2h;

Reference yield: 40.0%

→ 2-(3-Phenylmethylene-8-azabicyclo[3.2.1]oct-8-yl)-1-4-benzyloxyphenyl)-1-propanone + 1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone (35081-45-9)

Guidance literature:

Reference yield:

4-hydroxypropiophenone (70-70-2) → 1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone (35081-45-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / H₂O / 4 h / Heating

2: Br₂ / CHCl₃ / 2 h / 20 °C

With sodium hydroxide; bromine; In chloroform; water;

DOI:10.1016/j.bmc.2006.06.006

upstream raw materials:

4-benzyloxypropiophenone

phenyl propionate

4-hydroxypropiophenone

benzyl bromide

Downstream raw materials:

C₂₈H₂₈N₂O₄

p-hydroxynorepherdine

Refernces

• 1、 Argaez, Aida Nelly Garcia,Dalla Via, Lisa,Hyeraci, Mariafrancesca,Kikelj, Danijel,Ma?i?, Lucija Peterlin,Passarella, Daniele,Secci, Daniela,Toma?i?, Tihomir,Zidar, Nace. "Synthesis, Antiproliferative Effect, and Topoisomerase II Inhibitory Activity of 3-Methyl-2-phenyl-1 H-indoles". . p. 691 - 697. Retrieved 2020/07/14.
• 2、 -. "Heteroaryl estrogen receptor regulating agent and application thereof". Paragraph 0065; 0070; 0073. . Retrieved 2019/10/04.