6-Methoxychroman-4-one

Base Information

• Chemical Name: 6-Methoxychroman-4-one
• CAS No.: 5802-17-5
• Molecular Formula: C10H10 O3
• Molecular Weight: 178.188
• Hs Code.: 2932999099
• European Community (EC) Number: 870-582-6
• DSSTox Substance ID: DTXSID40404866
• Metabolomics Workbench ID: 73930
• Nikkaji Number: J1.185.764G
• Wikidata: Q72489593
• Mol file: 5802-17-5.mol

Synonyms:6-methoxychroman-4-one;5802-17-5;6-Methoxy-4-Chromanone;6-methoxy-2,3-dihydrochromen-4-one;6-methoxy-2,3-dihydro-4H-chromen-4-one;MFCD00190159;6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one;4H-1-Benzopyran-4-one, 2,3-dihydro-6-methoxy-;2,3-Dihydro-6-methoxychromen-4-one;6-methoxy-chroman-4-one;SCHEMBL769313;6-Methoxychromanone, AldrichCPR;DTXSID40404866;BCP26634;AKOS005146434;AC-31629;DS-15554;SY110561;AM20040770;CS-0028287;FT-0655245;M3135;EN300-29433;A15667;F1911-3048;Z283724550

Chemical Property of 6-Methoxychroman-4-one

Chemical Property:

• Vapor Pressure: 0.000358mmHg at 25°C
• Melting Point: 48 °C
• Boiling Point: 318.6°C at 760 mmHg
• Flash Point: 137.5°C
• PSA: 35.53000
• Density: 1.205
• LogP: 1.66040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

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

6-Methoxychroman-4-one ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)OCCC2=O

Technology Process of 6-Methoxychroman-4-one

There total 19 articles about 6-Methoxychroman-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: 93.0%

3-(4-methoxyphenoxy)propanoic acid (20811-60-3) → 6-methoxychroman-4-one (5802-17-5)

Guidance literature:

With norepinephrine; at 40 ℃; for 4h;

DOI:10.1016/j.bmcl.2021.128269

Reference yield: 75.0%

2-(4-Methoxyphenoxy)cyanoethane (63815-39-4) → 6-methoxychroman-4-one (5802-17-5)

Guidance literature:

With trifluorormethanesulfonic acid; trifluoroacetic acid; at 0 - 30 ℃;

Reference yield: 75.0%

β-(4-methoxyphenoxy)propionaldehyde ethylene acetal (92971-94-3) → 6-methoxychroman-4-one (5802-17-5)

Guidance literature:

With ammonium cerium (IV) nitrate; In methanol; acetonitrile; at 70 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2012.05.112

upstream raw materials:

3-(4-methoxyphenoxy)propanoic acid

(6-methoxy-2H-chromen-4-yl)methanol

4-(4-methoxyphenoxy)but-2-yn-1-ol

6-methoxychroman-4-carboxaldehyde

Downstream raw materials:

3-cinnamylidene-6-methoxychroman-4-one

(E)-3-[(4-hydroxyphenyl)methylene]-6-methoxy-chroman-4-one

3-Bromo-6-methoxy-4-quinolone

(+)-(4aR,10bR)-3,4,4a,10b-tetrahydro-4-propyl-2H,5H-<1>benzopyrano<4,3-b>-1,4-oxazin-9-ol

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". supporting information. . Retrieved 2021/09/13.
• 2、 -. "CHROMENE DERIVATIVES AS INHIBITORS OF TCR-NCK INTERACTION". . . Retrieved 2019/09/06.