2-Isopropylchromone

Base Information

• Chemical Name: 2-Isopropylchromone
• CAS No.: 5751-49-5
• Molecular Formula: C19H17NO2S2
• Molecular Weight: 188.226
• Nikkaji Number: J133.243K
• Mol file: 5751-49-5.mol

Synonyms:2-Isopropylchromone;2-Isopropylchromon;SCHEMBL5340573

Chemical Property of 2-Isopropylchromone

Chemical Property:

• Vapor Pressure: 1.05E-10mmHg at 25°C
• Boiling Point: 514.8°Cat760mmHg
• Flash Point: 265.1°C
• PSA: 86.93000
• Density: 1.33g/cm³
• LogP: 4.78280
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.083729621
• Heavy Atom Count: 14
• Complexity: 266

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=O)C2=CC=CC=C2O1

Technology Process of 2-Isopropylchromone

There total 11 articles about 2-Isopropylchromone 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: 88.0%

1-(2-hydroxyphenyl)-4-methylpentane-1,3-dione (97139-94-1) → 2-isopropyl-4H-chromen-4-one (5751-49-5)

Guidance literature:

With pyrrolidine; water; In methanol; at 55 ℃; for 60h; Reagent/catalyst;

DOI:10.1016/j.tet.2014.10.045

Reference yield: 69.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) → 2-isopropyl-4H-chromen-4-one (5751-49-5)

Guidance literature:

o-hydroxyacetophenone; isopropanoate; With sodium hydride; In tetrahydrofuran; mineral oil; for 0.0833333h; Reflux; Inert atmosphere;

With hydrogenchloride; In methanol; water; at 20 ℃; for 14h; Inert atmosphere;

DOI:10.1039/c8cc07787h

Reference yield: 66.0%

2'-(2-methylpropanoyloxy)acetophenone (97139-77-0) → 2-isopropyl-4H-chromen-4-one (5751-49-5)

Guidance literature:

With pyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene; at 80 ℃;

DOI:10.1016/j.bioorg.2013.07.001

upstream raw materials:

1-benzopyran-4(4H)-one

isobutyric Acid

1-(2-hydroxyphenyl)-4-methylpentane-1,3-dione

2-(propionylacetyl)phenol

Refernces

• 1、 Ma, Yujie,Li, Jing,Ye, Jianxun,Liu, Delong,Zhang, Wanbin. "Synthesis of chiral chromanols: Via a RuPHOX-Ru catalyzed asymmetric hydrogenation of chromones". supporting information. p. 13571 - 13574. Retrieved 2019/01/05.
• 2、 Zhao, Dongbing,Beiring, Bernhard,Glorius, Frank. "Ruthenium-NHC-catalyzed asymmetric hydrogenation of flavones and chromones: General access to enantiomerically enriched flavanones, flavanols, chromanones, and chromanols". supporting information. p. 8454 - 8458. Retrieved 2013/09/02.