4-Methyl-2-oxo-2H-1-benzopyran-7-yl (E)-9-octadecenoate

Base Information

Chemical Name:4-Methyl-2-oxo-2H-1-benzopyran-7-yl (E)-9-octadecenoate
CAS No.:69003-01-6
Molecular Formula:C₂₈H₄₀O₄
Molecular Weight:440.623
Hs Code.:2932209090
European Community (EC) Number:273-680-1
DSSTox Substance ID:DTXSID401236446
Nikkaji Number:J332.788D
Mol file:69003-01-6.mol

Synonyms:69003-01-6;4-METHYLUMBELLIFERYL ELAIDATE;Umbelliferyl oleate;4-Methyl-2-oxo-2H-1-benzopyran-7-yl (E)-9-octadecenoate;(4-methyl-2-oxochromen-7-yl) (E)-octadec-9-enoate;EINECS 273-680-1;131549-73-0;4-METHYL-2-OXOCHROMEN-7-YL (9E)-OCTADEC-9-ENOATE;C28-H40-O4;4-Mu-Elaidate;SCHEMBL1095445;DTXSID401236446;MFCD00037610;AKOS016015733;HY-W127556;AC-13695;BP-29890;CS-0185778;M-5535;M-5746;J-006021;(E)-4-methyl-2-oxo-2H-chromen-7-yl octadec-9-enoate;4-Methyl-2-oxo-2H-chromen-7-yl (E)-octadec-9-enoate;4-Methyl-2-oxo-2H-1-benzopyran-7-yl (9E)-9-octadecenoate;(E)-9-Octadecenoic acid 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

Suppliers and Price of 4-Methyl-2-oxo-2H-1-benzopyran-7-yl (E)-9-octadecenoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
4-Methylumbelliferyl elaidate
50mg
$ 319.00

Usbiological
4-Methylumbelliferyl elaidate
250mg
$ 222.00

TRC
4-MethylumbelliferylElaidate
250mg
$ 385.00

Medical Isotopes, Inc.
4-MethylumbelliferylElaidate
100 mg
$ 650.00

Biosynth Carbosynth
4-Methylumbelliferyl elaidate
2 g
$ 125.00

Biosynth Carbosynth
4-Methylumbelliferyl elaidate
1 g
$ 67.50

American Custom Chemicals Corporation
4-METHYLUMBELLIFERYL ELAIDATE 95.00%
100MG
$ 595.70

AK Scientific
4-Methylumbelliferylelaidate
2g
$ 218.00

AK Scientific
4-Methylumbelliferylelaidate
1g
$ 141.00

Total 8 raw suppliers

Chemical Property of 4-Methyl-2-oxo-2H-1-benzopyran-7-yl (E)-9-octadecenoate

Chemical Property:

PSA：56.51000
LogP:8.04430
Storage Temp.:−20°C
XLogP3:9.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:17
Exact Mass:440.29265975
Heavy Atom Count:32
Complexity:607

Purity/Quality:

99% ^*data from raw suppliers

4-Methylumbelliferyl elaidate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCCCCC=CCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
Isomeric SMILES:CCCCCCCC/C=C/CCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
Uses 4-Methylumbelliferyl Elaidate is used in reactions with acid lipase of B-lymphocyte in Wolman’s disease in humans as acyl chain length of 12-18 carbon atoms was determined to be the best substrate.

Technology Process of 4-Methyl-2-oxo-2H-1-benzopyran-7-yl (E)-9-octadecenoate

There total 3 articles about 4-Methyl-2-oxo-2H-1-benzopyran-7-yl (E)-9-octadecenoate 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: 96.0%

: 90-33-5,79566-13-5
7-hydroxy-4-methyl-chromen-2-one

: 112-80-1,2027-47-6
cis-Octadecenoic acid

: 18323-58-5,69003-01-6
(9Z)-octadec-9-enoic acid 4-methyl-2-oxo-2H-chromen-7-yl ester

Guidance literature:: With Novozyme 435; In 1,4-dioxane; at 20 ℃; for 2h; Enzymatic reaction;

Reference yield: 85.0%

: 112-77-6
(Z)-9-octadecenoyl chloride

: 90-33-5,79566-13-5
7-hydroxy-4-methyl-chromen-2-one

: 18323-58-5,69003-01-6
(9Z)-octadec-9-enoic acid 4-methyl-2-oxo-2H-chromen-7-yl ester

Guidance literature:: With sulfuric acid; for 7h; Reflux;
DOI:10.2174/1570180815666180327124634

Reference yield:

: 108-46-3
recorcinol

: 18323-58-5,69003-01-6
(9Z)-octadec-9-enoic acid 4-methyl-2-oxo-2H-chromen-7-yl ester

Guidance literature:: Multi-step reaction with 2 steps

1: sulfuric acid / 18 h / 20 °C

2: sulfuric acid / 7 h / Reflux

With sulfuric acid;
DOI:10.2174/1570180815666180327124634