Peyonine

Base Information

Chemical Name:Peyonine
CAS No.:19717-25-0
Molecular Formula:C16H19 N O5
Molecular Weight:305.3258
Hs Code.:2933990090
UNII:KWD7M7UMPY
DSSTox Substance ID:DTXSID60345161
Nikkaji Number:J10.768I
Wikipedia:Peyonine
Wikidata:Q15425281
Metabolomics Workbench ID:135429
ChEMBL ID:CHEMBL455359
Mol file:19717-25-0.mol

Synonyms:Peyonine;Peyonine [MI];19717-25-0;KWD7M7UMPY;UNII-KWD7M7UMPY;1H-Pyrrole-2-carboxylic acid, 1-(2-(3,4,5-trimethoxyphenyl)ethyl)-;1-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-2-carboxylic acid;1-(beta-(3',4',5'-Trimethoxy)phenethyl)pyrrole-2-carboxylic acid;Pyrrole-2-carboxylic acid, 1-(3,4,5-trimethoxyphenethyl)-;1-[2-(3,4,5-Trimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxylic acid;1H-Pyrrole-2-carboxylic acid, 1-[2-(3,4,5-trimethoxyphenyl)ethyl]-;CHEMBL455359;SCHEMBL1636913;DTXSID60345161;Q15425281;1-[2-(3,4,5-Trimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxylic acid #;1-(.BETA.-(3',4',5'-TRIMETHOXY)PHENETHYL)PYRROLE-2-CARBOXYLIC ACID

Suppliers and Price of Peyonine

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

Total 2 raw suppliers

Chemical Property of Peyonine

Chemical Property:

Vapor Pressure:2.67E-10mmHg at 25°C
Melting Point:131-133.5°
Boiling Point:487.1°Cat760mmHg
Flash Point:248.4°C
PSA：69.92000
Density:1.19g/cm³
LogP:2.45480
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:305.12632271
Heavy Atom Count:22
Complexity:350

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)CCN2C=CC=C2C(=O)O

Technology Process of Peyonine

There total 5 articles about Peyonine 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: 85.0%

: C₁₇H₂₁NO₅

: 19717-25-0
1-(3,4,5-trimethoxy-phenethyl)-pyrrole-2-carboxylic acid

Guidance literature:: With potassium hydroxide; In methanol; at 25 ℃; for 24h; Inert atmosphere; Schlenk technique;
DOI:10.1039/d1ob01383a

Reference yield:

: 1193-62-0
methyl Pyrrole-2-carboxylate

: 19717-25-0
1-(3,4,5-trimethoxy-phenethyl)-pyrrole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: potassium phosphate; tetrabutylammomium bromide; copper(l) iodide / N,N-dimethyl-formamide / 6 h / 110 °C / Schlenk technique; Inert atmosphere

2: palladium 10% on activated carbon; hydrogen / methanol / 12 h / 25 °C / Schlenk technique

3: potassium hydroxide / methanol / 24 h / 25 °C / Inert atmosphere; Schlenk technique

With potassium phosphate; copper(l) iodide; palladium 10% on activated carbon; tetrabutylammomium bromide; hydrogen; potassium hydroxide; In methanol; N,N-dimethyl-formamide;
DOI:10.1039/d1ob01383a

Reference yield:

: 77295-62-6
1,1-Dibromo-2-(3',4',5'-trimethoxyphenyl)ethene

: 19717-25-0
1-(3,4,5-trimethoxy-phenethyl)-pyrrole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: potassium phosphate; tetrabutylammomium bromide; copper(l) iodide / N,N-dimethyl-formamide / 6 h / 110 °C / Schlenk technique; Inert atmosphere

2: palladium 10% on activated carbon; hydrogen / methanol / 12 h / 25 °C / Schlenk technique

3: potassium hydroxide / methanol / 24 h / 25 °C / Inert atmosphere; Schlenk technique

With potassium phosphate; copper(l) iodide; palladium 10% on activated carbon; tetrabutylammomium bromide; hydrogen; potassium hydroxide; In methanol; N,N-dimethyl-formamide;
DOI:10.1039/d1ob01383a