7-Methylchroman-4-one

Base Information

• Chemical Name: 7-Methylchroman-4-one
• CAS No.: 18385-69-8
• Molecular Formula: C10H10O2
• Molecular Weight: 162.18500
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID301267999
• Nikkaji Number: J82.740A
• Mol file: 18385-69-8.mol

Synonyms:7-methylchroman-4-one;18385-69-8;7-methyl-2,3-dihydrochromen-4-one;7-Methyl-2,3-dihydro-4H-1-benzopyran-4-one;2,3-Dihydro-7-methyl-4H-1-benzopyran-4-one;7-methyl-chroman-4-one;SCHEMBL768839;OKVHJJOYXWCTSA-UHFFFAOYSA-N;DTXSID301267999;AM9216;MFCD00208231;AKOS015965028;MB00918;DS-10254;CS-0101615;I11465;7-METHYL-2,3-DIHYDRO-4H-CHROMEN-4-ONE;W-206320

Chemical Property of 7-Methylchroman-4-one

Chemical Property:

• Boiling Point: 138 °C(Press: 13 Torr)
• PSA: 26.30000
• Density: 1.1576 g/cm3(Temp: 21 °C)
• LogP: 1.96020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• 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:

98% ^*data from raw suppliers

7-Methylchroman-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C(=O)CCO2
• Uses: 7-Methylchroman-4-one is used in preparation of N-substituted 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamides as modulators of HSD17B13 and methods of use thereof.

Technology Process of 7-Methylchroman-4-one

There total 16 articles about 7-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: 98.0%

3-(4-methylphenoxy)propionic acid (25173-37-9) → 7-methylchroman-4-one (18385-69-8)

Guidance literature:

at 100 ℃; for 0.25h;

Reference yield: 93.0%

7-methyl-4H-benzopyran-4-one (5751-51-9) → 7-methylchroman-4-one (18385-69-8)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 3h; Heating;

Reference yield: 68.0%

7-methoxy-4H-chromen-4-one (5751-52-0) → 7-methylchroman-4-one (18385-69-8)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In methanol; water; at 20 ℃; for 4.5h;

DOI:10.1246/bcsj.77.549

upstream raw materials:

3-(3-methylphenoxy)propionic acid

7-methyl-4H-benzopyran-4-one

7-methoxy-4H-chromen-4-one

ω-formyl-4'-methoxy-2'-hydroxyacetophenone

Downstream raw materials:

3-(2-Hydroxy-benzyl)-7-methyl-chroman-4-one

3-(2-Hydroxy-benzyl)-7-methyl-chroman-4-ol

7-methylchroman-4-amine

7-methyl-4H-benzopyran-4-one

Refernces

• 1、 Begum, Ayisha F.,Balasubramanian, Kalpattu K.,Shanmugasundaram, Bhagavathy. "Acid activated montmorillonite K-10 mediated intramolecular acylation: Simple and convenient synthesis of 4-chromanones". . . Retrieved 2021/09/13.
• 2、 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.