Berberonic acid

Base Information

Chemical Name:Berberonic acid
CAS No.:490-28-8
Molecular Formula:C8H5NO6
Molecular Weight:211.131
Hs Code.:
UNII:HDZ7RH33XB
DSSTox Substance ID:DTXSID401302807
Nikkaji Number:J6.043G
Wikipedia:Berberonic_acid
Mol file:490-28-8.mol

Synonyms:berberonic acid;Beronic acid;2,4,5-Pyridinetricarboxylic acid;HDZ7RH33XB;UNII-HDZ7RH33XB;490-28-8;SCHEMBL1171098;DTXSID401302807

Suppliers and Price of Berberonic 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

Total 4 raw suppliers

Chemical Property of Berberonic acid

Chemical Property:

Melting Point:240-241 °C (decomp)
Boiling Point:659.9±55.0 °C(Predicted)
PKA:2.05±0.10(Predicted)
PSA：124.79000
Density:1.755±0.06 g/cm3(Predicted)
LogP:0.17620
XLogP3:-0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:211.01168688
Heavy Atom Count:15
Complexity:302

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C(=CN=C1C(=O)O)C(=O)O)C(=O)O

Technology Process of Berberonic acid

There total 11 articles about Berberonic 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:

: 15500-14-8
1-(8-hydroxy-7-methyl-3-propenyl-isoquinolin-6-yl)-nonan-2-one

: 7732-18-5
water

: 124-07-2
Octanoic acid

: 490-28-8
pyridine-2,4,5-tricarboxylic acid

: 142-62-1
hexanoic acid

Guidance literature:: DOI:10.1016/S0040-4020(01)99285-3 DOI:10.1021/ja01532a068

Reference yield:

: 490-11-9
3,4-pyridinecarboxylic acid

: 490-28-8
pyridine-2,4,5-tricarboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 72 percent / SOCl₂ / methanol / 24 h / Heating

2: 14.7 g / mCPBA / CH₂Cl₂ / 15 h

3: 43 percent / Me₂NCOCl / 1,2-dimethoxy-ethane / 23 h / Heating

4: 6N aq. HCl / 5 h / Heating

With hydrogenchloride; thionyl chloride; 3-chloro-benzenecarboperoxoic acid; N,N-Dimethylcarbamoyl chloride; In methanol; 1,2-dimethoxyethane; dichloromethane;
DOI:10.3987/com-97-s77

Reference yield:

: 1796-83-4
dimethyl 3,4-pyridinedicarboxylate

: 490-28-8
pyridine-2,4,5-tricarboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 14.7 g / mCPBA / CH₂Cl₂ / 15 h

2: 43 percent / Me₂NCOCl / 1,2-dimethoxy-ethane / 23 h / Heating

3: 6N aq. HCl / 5 h / Heating

With hydrogenchloride; 3-chloro-benzenecarboperoxoic acid; N,N-Dimethylcarbamoyl chloride; In 1,2-dimethoxyethane; dichloromethane;
DOI:10.3987/com-97-s77