Phenylethyl 3-methylcaffeate

Base Information

Chemical Name:Phenylethyl 3-methylcaffeate
CAS No.:71835-85-3
Molecular Formula:C₁₈H₁₈O₄
Molecular Weight:298.339
Hs Code.:
NSC Number:671193,666255
UNII:B49B43355J
DSSTox Substance ID:DTXSID8021143
Nikkaji Number:J549.663B,J655.985I
Wikidata:Q27464606
Metabolomics Workbench ID:134065
ChEMBL ID:CHEMBL442022
Mol file:71835-85-3.mol

Synonyms:phenethyl ferulate

Suppliers and Price of Phenylethyl 3-methylcaffeate

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
Caffeic Acid, 3-Methyl Phenethyl Ester
250mg
$ 403.00

TRC
CaffeicAcid3-MethylPhenethylEster
2.5g
$ 925.00

Medical Isotopes, Inc.
CaffeicAcid,3-MethylPhenethylEster
250 mg
$ 1640.00

Medical Isotopes, Inc.
CaffeicAcid,3-MethylPhenethylEster
100 mg
$ 830.00

Matrix Scientific
Methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate
0.500g
$ 120.00

Biosynth Carbosynth
Caffeic acid 3-methyl phenethyl ester
1 mg
$ 200.00

Biosynth Carbosynth
Caffeic acid 3-methyl phenethyl ester
2 mg
$ 300.00

Biosynth Carbosynth
Caffeic acid 3-methyl phenethyl ester
5 mg
$ 500.00

Biosynth Carbosynth
Caffeic acid 3-methyl phenethyl ester
10 mg
$ 750.00

Biosynth Carbosynth
Caffeic acid 3-methyl phenethyl ester
20 mg
$ 1000.00

Total 16 raw suppliers

Chemical Property of Phenylethyl 3-methylcaffeate

Chemical Property:

Vapor Pressure:1.23E-09mmHg at 25°C
Melting Point:80-81℃
Boiling Point:474.7°C at 760 mmHg
Flash Point:171.6°C
PSA：55.76000
Density:1.193g/cm³
LogP:3.11930
Solubility.:DMSO, Ethanol, Ethyl Acetate
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:298.12050905
Heavy Atom Count:22
Complexity:360

Purity/Quality:

≥98% ^*data from raw suppliers

Caffeic Acid, 3-Methyl Phenethyl Ester ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=CC=C2)O
Isomeric SMILES:COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=CC=C2)O
Uses It has chemopreventive properties against chemically induced colon carcinogenesis. It enhances apoptosis in azoxymethane induced colon tumors It has chemopreventive properties against chemically induced colon carcinogenesis. It enhances apoptosis in azoxymethane induced colon tumors.

Technology Process of Phenylethyl 3-methylcaffeate

There total 9 articles about Phenylethyl 3-methylcaffeate 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: 78.0%

: 1135-24-6,537-98-4
(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid

: 103-63-9
1-phenyl-2-bromoethane

: 132335-98-9,71835-85-3
2-phenylethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Guidance literature:: (E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid; With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium carbonate; for 0.5h;

1-phenyl-2-bromoethane; With potassium iodide; at 20 ℃; for 48h;
DOI:10.1016/j.bmcl.2019.02.032

Reference yield: 70.0%

: 1135-24-6,537-98-4
3-(4-hydroxy-3-methoxyphenyl)acrylic acid

: 103-63-9
1-phenyl-2-bromoethane

: 71835-85-3
3-(4-hydroxy-3-methoxyphenyl)acrylic acid phenethyl ester

Guidance literature:: 3-(4-hydroxy-3-methoxyphenyl)acrylic acid; With 1,3-dimethyl-2-imidazolidinone; sodium carbonate; for 0.5h;

1-phenyl-2-bromoethane; With potassium iodide; at 50 - 60 ℃;
DOI:10.14233/ajchem.2014.15974