Chroman-3-one

Base Information

• Chemical Name: Chroman-3-one
• CAS No.: 19090-04-1
• Molecular Formula: C9H8O2
• Molecular Weight: 148.161
• Hs Code.: 2932999099
• European Community (EC) Number: 860-454-8
• DSSTox Substance ID: DTXSID60456483
• Nikkaji Number: J1.656.147I
• Wikidata: Q72460789
• Mol file: 19090-04-1.mol

Synonyms:chroman-3-one;19090-04-1;3-CHROMANONE;4H-chromen-3-one;3,4-dihydro-2H-1-benzopyran-3-one;2H-1-Benzopyran-3(4H)-one;2H-chromen-3(4H)-one;2H-Chromen-3-ol, AldrichCPR;SCHEMBL3962887;SCHEMBL11075399;DTXSID60456483;SHHLMGCHMMCOOS-UHFFFAOYSA-N;MFCD09996937;AKOS015915214;DS-18057;CS-0448978;FT-0652586;EN300-43451;F53084;A813455

Chemical Property of Chroman-3-one

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: 1.562
• Boiling Point: 281.452 °C at 760 mmHg
• Flash Point: 136.065 °C
• PSA: 26.30000
• Density: 1.197 g/cm³
• LogP: 1.19060
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.052429494
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

98%,99%, ^*data from raw suppliers

Chroman-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)COC2=CC=CC=C21

Technology Process of Chroman-3-one

There total 27 articles about Chroman-3-one 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: 92.0%

ethyl 3-hydroxy-2H-<1>benzopyran-4-carboxylate (80379-31-3) → chroman-3-one (19090-04-1)

Guidance literature:

With sulfuric acid; for 5h; Heating;

DOI:10.1002/jhet.5570180613

Reference yield: 86.0%

1-Diazo-3-phenoxy-2-propanone (21443-40-3) → chroman-3-one (19090-04-1)

Guidance literature:

With copper(II) hexafluoro-2,4-pentanedionate; In dichloromethane; Ambient temperature;

DOI:10.1055/s-1984-30805

Reference yield: 85.0%

2H-chromene-3-carboxylic acid (22649-28-1) → chroman-3-one (19090-04-1)

Guidance literature:

2H-chromene-3-carboxylic acid; With diphenyl phosphoryl azide; triethylamine; In dichloromethane; toluene; at 50 - 85 ℃; for 4h;

With hydrogenchloride; In dichloromethane; water; toluene; for 3h; Reflux;

upstream raw materials:

(2-Carboxymethoxy-phenyl)-essigsaeure

acetic anhydride

3,4-epoxy-chroman

3-Phenyl-1-propanol

Downstream raw materials:

4-Chroman-3-yl-morpholine

1-Chroman-3-yl-4-phenyl-piperazine

1-Chroman-3-yl-4-(4-methoxy-phenyl)-piperazine

1-Chroman-3-yl-4-(2-methoxy-phenyl)-piperazine

Refernces

• 1、 Citoler, Joan,Harawa, Vanessa,Marshall, James R.,Bevinakatti, Han,Finnigan, James D.,Charnock, Simon J.,Turner, Nicholas J.. "Synthesis of Pharmaceutically Relevant 2-Aminotetralin and 3-Aminochroman Derivatives via Enzymatic Reductive Amination". . p. 24456 - 24460. Retrieved 2021/10/19.
• 2、 Urruzuno, I?aki,Mugica, Odei,Oiarbide, Mikel,Palomo, Claudio. "Bifunctional Br?nsted Base Catalyst Enables Regio-, Diastereo-, and Enantioselective Cα-Alkylation of β-Tetralones and Related Aromatic-Ring-Fused Cycloalkanones". . p. 2059 - 2063. Retrieved 2017/02/15.