4-Methyl-2-oxo-2h-chromen-7-yl 4-methylbenzoate

Base Information

• Chemical Name: 4-Methyl-2-oxo-2h-chromen-7-yl 4-methylbenzoate
• CAS No.: 5941-44-6
• Molecular Formula: C₁₄H₁₈O₄
• Molecular Weight: 250.295
• DSSTox Substance ID: DTXSID70974825
• Wikidata: Q82959280
• Mol file: 5941-44-6.mol

Synonyms:4-methyl-2-oxo-2h-chromen-7-yl 4-methylbenzoate;112121-60-5;(4-methyl-2-oxochromen-7-yl) 4-methylbenzoate;5941-44-6;CBMicro_026050;Oprea1_003916;Oprea1_633787;DTXSID70974825;4-Methyl-benzoic acid 4-methyl-2-oxo-2H-chromen-7-yl ester;AKOS000620810;JS-0193;BIM-0026055.P001;CS-0335338;4-methyl-2-oxo-2h-chromen-7-yl4-methylbenzoate;AA-768/31451017;BRD-K49751032-001-01-6;Z30906353;4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate

Chemical Property of 4-Methyl-2-oxo-2h-chromen-7-yl 4-methylbenzoate

Chemical Property:

• Vapor Pressure: 2.12E-09mmHg at 25°C
• Boiling Point: 480.7°Cat760mmHg
• Flash Point: 248.4°C
• Density: 1.253g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 294.08920892
• Heavy Atom Count: 22
• Complexity: 474

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

Technology Process of 4-Methyl-2-oxo-2h-chromen-7-yl 4-methylbenzoate

There total 5 articles about 4-Methyl-2-oxo-2h-chromen-7-yl 4-methylbenzoate 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:

diethyl (2E,8E)-2,8-decadiene-4,6-diyne-1,10-dicarboxylate (146905-15-9) → Deca-2t,4c,6c,8t-tetraen-1,10-disaeure-diethylester (1441-59-4,5941-44-6)

Guidance literature:

With hydrogen; Lindlar's catalyst; In ethyl acetate;

DOI:10.1007/BF00846962

Reference yield:

(2E,4E)-hexa-2,4-diene-1,6-diol (107550-83-4) + ethyl (triphenylphosphoranylidene)acetate (1099-45-2) → all-trans-Octa-1,3,5,7-tetraen-1,8-dicarbonsaeure-diethylester (5941-44-6) + (2Z,4E,6E,8E)-Deca-2,4,6,8-tetraenedioic acid diethyl ester

Guidance literature:

With Dess-Martin periodane; benzoic acid; In dichloromethane; dimethyl sulfoxide; for 0.5h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1021/jo971569u

Reference yield:

(2E,4E)-6,8-Diethoxy-8-methoxy-octa-2,4-dienoic acid ethyl ester → all-trans-Octa-1,3,5,7-tetraen-1,8-dicarbonsaeure-diethylester (5941-44-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOAc, aq. AcOH

2: benzene

With sodium acetate; acetic acid; In benzene;

DOI:10.1007/BF01134723

upstream raw materials:

diethyl (2E,8E)-2,8-decadiene-4,6-diyne-1,10-dicarboxylate

(2E,4E,6E)-ethyl 8-oxoocta-2,4,6-trienoate

ethyl (triphenylphosphoranylidene)acetate

(2E,4E)-hexa-2,4-diene-1,6-diol