Benzyl caffeate

Base Information

Chemical Name:Benzyl caffeate
CAS No.:107843-77-6
Molecular Formula:C₁₆H₁₄O₄
Molecular Weight:270.285
Hs Code.:
NSC Number:666590
UNII:BD29SJL432
Nikkaji Number:J394.140J,J565.310J
Pharos Ligand ID:13WGLNJ2J9FA
Metabolomics Workbench ID:123336
ChEMBL ID:CHEMBL133714
Mol file:107843-77-6.mol

Synonyms:benzyl caffeate;Bn-caffeate

Suppliers and Price of Benzyl caffeate

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

TRC
CaffeicAcidBenzylEster
25mg
$ 420.00

Crysdot
CaffeicAcidBenzylEster 95+%
1g
$ 1856.00

Biosynth Carbosynth
Caffeic acid benzyl ester
100 mg
$ 1720.00

Biosynth Carbosynth
Caffeic acid benzyl ester
50 mg
$ 1320.00

Biosynth Carbosynth
Caffeic acid benzyl ester
25 mg
$ 1145.00

AK Scientific
(E)-Benzyl3-(3,4-dihydroxyphenyl)acrylate
25mg
$ 995.00

Total 7 raw suppliers

Chemical Property of Benzyl caffeate

Chemical Property:

Vapor Pressure:2.58E-09mmHg at 25°C
Melting Point:153-155 °C
Boiling Point:466.2°Cat760mmHg
PKA:8.45±0.20(Predicted)
Flash Point:175°C
PSA：66.76000
Density:1.299g/cm³
LogP:2.85440
Storage Temp.:Refrigerator
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:270.08920892
Heavy Atom Count:20
Complexity:333

Purity/Quality:

99% ^*data from raw suppliers

CaffeicAcidBenzylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC(=O)C=CC2=CC(=C(C=C2)O)O
Isomeric SMILES:C1=CC=C(C=C1)COC(=O)/C=C/C2=CC(=C(C=C2)O)O
Uses Caffeic Acid analog potentially having anti-inflammatory effects.

Technology Process of Benzyl caffeate

There total 11 articles about Benzyl caffeate 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: 80.0%

: 331-39-5,501-16-6
caffeic acid

: 100-39-0
benzyl bromide

: 115610-24-7,130734-47-3,107843-77-6
phenylmethyl 1-(3’,4’-dihydroxyphenyl)propenate

Guidance literature:: caffeic acid; With potassium phosphate; In dimethyl sulfoxide; for 0.5h;

benzyl bromide; In dimethyl sulfoxide; at 15 - 20 ℃; for 21.5h;

Reference yield: 78.0%

: 1338341-04-0
caffeic acid benzyl ester diacetate

: 115610-24-7,130734-47-3,107843-77-6
phenylmethyl 1-(3’,4’-dihydroxyphenyl)propenate

Guidance literature:: With guanidine hydrochloride; triethylamine; In methanol; dichloromethane; at 20 ℃; Inert atmosphere;
DOI:10.1016/j.bmc.2013.08.057