Neochlorogenic acid

Base Information

Chemical Name:Neochlorogenic acid
CAS No.:906-33-2
Molecular Formula:C₁₆H₁₈O₉
Molecular Weight:354.314
Hs Code.:29182900
European Community (EC) Number:212-997-1
UNII:O4601UER1Z
ChEMBL ID:CHEMBL249450
DSSTox Substance ID:DTXSID301347903
Metabolomics Workbench ID:50481
Nikkaji Number:J443.985F,J1.453.978F
Wikidata:Q6992128
Wikipedia:Neochlorogenic_acid
Mol file:906-33-2.mol

Synonyms:5'-O-caffeoylquinic acid;5-O-caffeoylquinic acid;neochlorogenic acid

Suppliers and Price of Neochlorogenic acid

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
Neochlorogenic acid
10mg
$ 531.00

TRC
(E)-NeochlorogenicAcid
10mg
$ 120.00

TCI Chemical
Neochlorogenic Acid
50MG
$ 556.00

TCI Chemical
Neochlorogenic Acid
10MG
$ 179.00

Sigma-Aldrich
Neochlorogenic acid from Lonicera japonica, ≥98.0% (HPLC)
10mg
$ 198.00

Sigma-Aldrich
Neochlorogenic acid analytical standard
5mg
$ 546.00

Sigma-Aldrich
Neochlorogenic acid from Lonicera japonica, ≥98.0% (HPLC)
50mg
$ 788.00

Medical Isotopes, Inc.
(E)-NeochlorogenicAcid
50 mg
$ 1075.00

JR MediChem
Neochlorogenicacid(NewProduct) 98%
20mg
$ 128.00

DC Chemicals
Neochlorogenic Acid >98%,StandardReferencesGrade
250 mg
$ 900.00

Total 81 raw suppliers

Chemical Property of Neochlorogenic acid

Chemical Property:

Appearance/Colour:white powder
Vapor Pressure:1.38E-18mmHg at 25°C
Melting Point:204-206 °C (decomp)
Refractive Index:1.69
Boiling Point:665 °C at 760 mmHg
PKA:3.90±0.50(Predicted)
Flash Point:245.5 °C
PSA：164.75000
Density:1.65 g/cm³
LogP:-0.64590
Storage Temp.:2-8°C
Solubility.:DMSO (Slightly), Ethanol (Slightly, Heated, Sonicated), Methanol (Slightly, Heat
XLogP3:-0.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:354.09508215
Heavy Atom Count:25
Complexity:534

Purity/Quality:

≥98% ^*data from raw suppliers

Neochlorogenic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
Isomeric SMILES:C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
Uses (E)-Neochlorogenic Acid is an antioxidant compound used in the treatment of oxidative stress and related afflictions.

Technology Process of Neochlorogenic acid

There total 18 articles about Neochlorogenic acid 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: 69.0%

: 4-methoxybenzyl (2'S,3'S)-3-O,4-O-(2',3'-dimethoxybutane-2',3'-diyl)-5-O-(3,4-di-O-methoxymethylcaffeoyl)quinate

: 327-97-9,534-61-2,906-33-2,15016-60-1,15076-00-3,29587-84-6,32719-11-2,72690-58-5,77209-78-0,82659-69-6,82659-70-9,82659-71-0,82690-55-9,93451-45-7,93451-46-8
neochlorogenic acid

Guidance literature:: With pentamethylbenzene,; boron trichloride; In dichloromethane; at -40 - 0 ℃; for 3h; Reagent/catalyst; Inert atmosphere;
DOI:10.1016/j.tet.2014.08.064