3-Methylchroman-4-one

Base Information

• Chemical Name: 3-Methylchroman-4-one
• CAS No.: 16982-86-8
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• European Community (EC) Number: 865-813-2
• Nikkaji Number: J82.572G
• ChEMBL ID: CHEMBL1708134
• Mol file: 16982-86-8.mol

Synonyms:16982-86-8;3-methyl-3,4-dihydro-2h-1-benzopyran-4-one;2,3-Dihydro-3-methyl-4H-1-benzopyran-4-one;3-methyl-chroman-4-one;3-methyl-2,3-dihydrochromen-4-one;3-methylchroman-4-one;SCHEMBL768947;CHEMBL1708134;PYKLMHVJWGDWOH-UHFFFAOYSA-N;AKOS000426556;AKOS022532645;3-Methyl-2H-1-benzopyran-4(3H)-one;NCGC00161065-01;NCGC00161065-02;EN300-49481;N13022

Chemical Property of 3-Methylchroman-4-one

Chemical Property:

• Boiling Point: 65 °C (0.1 mmHg)
• PSA: 26.30000
• LogP: 1.89780
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

3-Methyl-chroman-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1COC2=CC=CC=C2C1=O

Technology Process of 3-Methylchroman-4-one

There total 39 articles about 3-Methylchroman-4-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: 99.0%

3-methyl-3-(phenylsulfonyl)chroman-4-one (139449-29-9) → 3-methyl-chroman-4-one (16982-86-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; eosin Y bis(tetrabutyl ammonium salt); In acetonitrile; at 20 ℃; for 13h; Reagent/catalyst; Time; Solvent; Mechanism; Irradiation; Inert atmosphere;

DOI:10.1002/ejoc.201301105

Reference yield: 95.0%

ethyl 2-methyl-3-phenoxypropanoate (646064-56-4) → 3-methyl-chroman-4-one (16982-86-8)

Guidance literature:

With trifluorormethanesulfonic acid; for 4.5h; Heating;

DOI:10.1016/j.tet.2003.09.095

Reference yield: 93.0%

3-methylchromone (85-90-5) → 3-methyl-chroman-4-one (16982-86-8)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 5h; Heating;

upstream raw materials:

2,3-dihydro-4H-1-benzopyran-4-one

methyl iodide

Se-phenyl 2-(allyloxy)selenobenzoate

3-Hydroxy-2-methyl-1-(o-hydroxyphenyl)-1-propanone

Downstream raw materials:

3-methylchromone

3-benzyloxycarbonyl-3-methylchroman-4-one

Refernces

• 1、 -. "NOVEL COMPOUNDS". Page/Page column 62. . Retrieved 2022/03/22.
• 2、 Chen, Jingjing,Gao, Bochao,Feng, Xiangqing,Meng, Wei,Du, Haifeng. "Relay Catalysis by Achiral Borane and Chiral Phosphoric Acid in the Metal-Free Asymmetric Hydrogenation of Chromones". supporting information. p. 8565 - 8569. Retrieved 2021/11/13.