Methyl chlorogenate

Base Information

Chemical Name:Methyl chlorogenate
CAS No.:123483-19-2
Molecular Formula:C₁₇H₂₀O₉
Molecular Weight:368.34
Hs Code.:
NSC Number:741645
UNII:E6GC3KV7JK
DSSTox Substance ID:DTXSID501289036
Nikkaji Number:J448.353G,J2.239.824E
Wikidata:Q27276938
Metabolomics Workbench ID:133870
ChEMBL ID:CHEMBL416955
Mol file:123483-19-2.mol

Synonyms:chlorogenic methyl ester;methyl chlorogenate

Suppliers and Price of Methyl chlorogenate

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

Arctom
3-O-Caffeoylquinicacidmethylester ≥94%
10mg
$ 395.45

Arctom
3-O-Caffeoylquinicacidmethylester ≥98%
10mg
$ 198.00

AK Scientific
Methylchlorogenate
50mg
$ 792.00

Total 22 raw suppliers

Chemical Property of Methyl chlorogenate

Chemical Property:

Boiling Point:577.0±50.0 °C(Predicted)
PKA:9.32±0.10(Predicted)
PSA：153.75000
Density:1.53±0.1 g/cm3(Predicted)
LogP:-0.55750
XLogP3:-0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:368.11073221
Heavy Atom Count:26
Complexity:548

Purity/Quality:

≥98% ^*data from raw suppliers

3-O-Caffeoylquinicacidmethylester ≥94% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O
Isomeric SMILES:COC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O
Uses 3-O-Caffeoylquinic Acid Methyl Ester can be used for its antioxidant and tyrosinase inhibitory activities.

Technology Process of Methyl chlorogenate

There total 7 articles about Methyl chlorogenate 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: 71.0%