Cinchonain Ib

Base Information

Chemical Name:Cinchonain Ib
CAS No.:85022-69-1
Molecular Formula:C₂₄H₂₀O₉
Molecular Weight:452.417
Hs Code.:
UNII:F742N63ATR
DSSTox Substance ID:DTXSID00440220
Nikkaji Number:J585.618C
Wikipedia:Cinchonain-Ib
Wikidata:Q5120191,Q105152986
Metabolomics Workbench ID:133623
ChEMBL ID:CHEMBL401058

Synonyms:cinchonain Ib

Suppliers and Price of Cinchonain Ib

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 7 raw suppliers

Chemical Property of Cinchonain Ib

Chemical Property:

Melting Point:245 °C
Boiling Point:745.5±60.0 °C(Predicted)
PSA：156.91000
Density:1.620±0.06 g/cm3(Predicted)
LogP:2.69270
XLogP3:2.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:452.11073221
Heavy Atom Count:33
Complexity:718

Purity/Quality:: Analysis control,97.5% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C(OC2=C1C(=CC3=C2C(CC(=O)O3)C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O
Isomeric SMILES:C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@@H](CC(=O)O3)C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O

Technology Process of Cinchonain Ib

There total 7 articles about Cinchonain Ib 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:

: 85081-23-8
cinchonain IIa

: 85022-69-1,85081-24-9,88903-73-5,113531-00-3
epicatechin-(7,8-bc)-4α-(3,4-dihydroxyphenyl)-dihydro-2(3H)-pyranone

Guidance literature:: Multi-step reaction with 2 steps

1: 44 mg / acetic acid / ethanol / 11 h / Heating

2: 2 mg / Raney Ni / ethanol / 0.5 h / Heating

With acetic acid; nickel; In ethanol;
DOI:10.1248/cpb.30.4277

Reference yield:

: 85081-23-8
cinchonain IIa

: 85022-69-1,85081-24-9,88903-73-5,113531-00-3
cinchonain Ib

Guidance literature:: Multi-step reaction with 4 steps

1: 44 mg / acetic acid / ethanol / 11 h / Heating

2: 2 mg / Raney Ni / ethanol / 0.5 h / Heating

3: 56 mg / acetic acid / ethanol / 12 h / Heating

4: 3 mg / Raney Ni / ethanol / 0.5 h / Heating

With nickel; acetic acid; nickel; In ethanol;
DOI:10.1248/cpb.30.4277

Reference yield:

: 85022-71-5,101401-65-4,101401-66-5
(2R,3S,10R)-4-Benzylsulfanyl-2,10-bis-(3,4-dihydroxy-phenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one

: 85022-69-1,85081-24-9,88903-73-5,113531-00-3
cinchonain Ib

Guidance literature:: Multi-step reaction with 3 steps

1: 2 mg / Raney Ni / ethanol / 0.5 h / Heating

2: 56 mg / acetic acid / ethanol / 12 h / Heating

3: 3 mg / Raney Ni / ethanol / 0.5 h / Heating

With nickel; acetic acid; nickel; In ethanol;
DOI:10.1248/cpb.30.4277