7-Chloro-4-chromanone

Base Information

• Chemical Name: 7-Chloro-4-chromanone
• CAS No.: 18385-72-3
• Molecular Formula: C9H7ClO2
• Molecular Weight: 182.60368
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID10559817
• Wikidata: Q72517879
• Mol file: 18385-72-3.mol

Synonyms:7-Chloro-4-chromanone;

Chemical Property of 7-Chloro-4-chromanone

Chemical Property:

• Vapor Pressure: 0.000286mmHg at 25°C
• Melting Point: 65-67℃
• Refractive Index: 1.578
• Boiling Point: 322 °C at 760 mmHg
• Flash Point: 149.7 °C
• PSA: 26.30000
• Density: 1.345 g/cm³
• LogP: 2.30520
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 182.0134572
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

98% ^*data from raw suppliers

7-Chloro-4-chromanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(C1=O)C=CC(=C2)Cl

Technology Process of 7-Chloro-4-chromanone

There total 10 articles about 7-Chloro-4-chromanone 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: 65.0%

7-chloro chroman-4-ol (18385-81-4) → 7-chloro-chroman-4-one (18385-72-3)

Guidance literature:

With tert.-butylhydroperoxide; 1-n-butyl-3-methylimidazolim bromide; In water; at 55 ℃; for 12h;

DOI:10.1016/j.molliq.2016.07.064

Reference yield: 35.0%

1-(4-Chloro-2-hydroxy-phenyl)-3-dimethylamino-propan-1-one; hydrochloride (126235-12-9) → 7-chloro-chroman-4-one (18385-72-3)

Guidance literature:

With potassium hydroxide; In water; at 35 ℃; for 0.25h;

DOI:10.1055/s-1989-27369

Reference yield:

3-(3-chloro-phenoxy)-propionic acid (7170-50-5) → 7-chloro-chroman-4-one (18385-72-3)

Guidance literature:

With aluminium trichloride; phosphorus pentachloride;

DOI:10.1021/ja01153a048

upstream raw materials:

3-(3-chloro-phenoxy)-propionic acid

1-(4-Chloro-2-hydroxy-phenyl)-3-dimethylamino-propan-1-one; hydrochloride

4-chloro-2-hydroxy acetophenone

3-monochlorophenol

Downstream raw materials:

3-benzylaminomethyl-7-chloro-chroman-4-one

7-chlorochroman-4-amine

1-(7-chloro-2H-chromen-4-yl)methanamine hydrochloride

7-chloro chroman-4-ol

Refernces

• 1、 Kesteleyn, Bart,Amssoms, Katie,Schepens, Wim,Hache, Geerwin,Verschueren, Wim,Van De Vreken, Wim,Rombauts, Klara,Meurs, Greet,Sterkens, Patrick,Stoops, Bart,Baert, Lieven,Austin, Nigel,Wegner, J?rg,Masungi, Chantal,Dierynck, Inge,Lundgren, Stina,J?nsson, Daniel,Parkes, Kevin,Kalayanov, Genadiy,Wallberg, Hans,Rosenquist, ?sa,Samuelsson, Bertil,Van Emelen, Kristof,Thuring, Jan Willem. "Design and synthesis of HIV-1 protease inhibitors for a long-acting injectable drug application". . p. 310 - 317. Retrieved 2013/02/25.
• 2、 Crosby, Ian T.,Shin, James K.,Capuano, Ben. "The application of the schmidt reaction and beckmann rearrangement to the synthesis of bicyclic lactams: Some mechanistic considerations". scheme or table. p. 211 - 226. Retrieved 2011/06/21.