4'-Benzoyloxy-3'-methylthio-2-bromoacetophenone

Base Information

• Chemical Name: 4'-Benzoyloxy-3'-methylthio-2-bromoacetophenone
• CAS No.: 66264-75-3
• Molecular Formula: C11H11BrO3S
• Molecular Weight: 365.247
• Hs Code.: 2930909090
• Nikkaji Number: J286.751F
• Mol file: 66264-75-3.mol

Synonyms:SCHEMBL10652942;SPIPGMHQCQJJFN-UHFFFAOYSA-N;4'-benzoyloxy-3'-methylthio-2-bromoacetophenone

Chemical Property of 4'-Benzoyloxy-3'-methylthio-2-bromoacetophenone

Chemical Property:

• Vapor Pressure: 2.3E-06mmHg at 25°C
• Boiling Point: 392.4°Cat760mmHg
• Flash Point: 191.1°C
• PSA: 68.67000
• Density: 1.52g/cm³
• LogP: 2.91140
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 363.97688
• Heavy Atom Count: 21
• Complexity: 369

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSC1=C(C=CC(=C1)C(=O)CBr)OC(=O)C2=CC=CC=C2

Technology Process of 4'-Benzoyloxy-3'-methylthio-2-bromoacetophenone

There total 4 articles about 4'-Benzoyloxy-3'-methylthio-2-bromoacetophenone 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-acetyl-2-(methylthio)phenyl benzoate (66264-74-2) → 4-(2-bromoacetyl)-3-(methylthio)phenyl acetate (66264-75-3)

Guidance literature:

With bromine; Irradiation;

Reference yield:

2-(methylsulfenyl)phenol (1073-29-6) → 4-(2-bromoacetyl)-3-(methylthio)phenyl acetate (66264-75-3)

Guidance literature:

Multi-step reaction with 3 steps

1: aluminium trichloride / nitrobenzene

2: pyridine; water

3: nitrogen; bromine / benzene

With nitrogen; bromine; aluminium trichloride; In pyridine; water; nitrobenzene; benzene;

Reference yield:

4'-hydroxy-3'-mercaptoacetophenone (66264-55-9) → 4-(2-bromoacetyl)-3-(methylthio)phenyl acetate (66264-75-3)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / chloroform; acetone; benzene

2: pyridine; water

3: nitrogen; bromine / benzene

With nitrogen; bromine; potassium carbonate; In pyridine; chloroform; water; acetone; benzene;

upstream raw materials:

4-acetyl-2-(methylthio)phenyl benzoate

2-(methylsulfenyl)phenol

4'-hydroxy-3'-mercaptoacetophenone

1-[4-hydroxy-3-(methylmercapto)phenyl]-ethanone

Downstream raw materials:

4'-hydroxy-2-{[3-(3,4-methylenedioxyphenyl)-1-methylpropyl]amino}-3'-(methylthio)acetophenone 4'-benzoate hydrobromide

4'-hydroxy-2-{[3-(4-methoxyphenyl)-1-methylpropyl]amino}-3'-(methylthio)acetophenone 4'-benzoate hydrobromide

Refernces

• 1、 -. "α-{[(Arylalkyl)amino]alkyl}-4-hydroxy-3-(lower-alkylsulfinyl)benzenemethanols". . . Retrieved 2008/06/13.