Cyanobacterin

Base Information

Chemical Name:Cyanobacterin
CAS No.:80902-00-7
Molecular Formula:C₂₃H₂₃ClO₆
Molecular Weight:430.885
Hs Code.:
DSSTox Substance ID:DTXSID001018202
Nikkaji Number:J621.457F
Wikipedia:Cyanobacterin
Wikidata:Q17189276
Metabolomics Workbench ID:112750
Mol file:80902-00-7.mol

Synonyms:cyanobacterin

Suppliers and Price of Cyanobacterin

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 Cyanobacterin

Chemical Property:

Vapor Pressure:5.95E-16mmHg at 25°C
Boiling Point:614.4°Cat760mmHg
Flash Point:325.4°C
PSA：74.22000
Density:1.359g/cm³
LogP:4.22100
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:430.1183161
Heavy Atom Count:30
Complexity:658

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:other linear non-peptide
Canonical SMILES:CC(C)C1(C(C(=O)OC1=CC2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4)O
Isomeric SMILES:CC(C)[C@]\1([C@H](C(=O)O/C1=C\C2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4)O

Technology Process of Cyanobacterin

There total 34 articles about Cyanobacterin 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: 90.0%

: 109292-79-7
(2S,3S)-2-(7-Chloro-benzo[1,3]dioxol-5-ylmethyl)-3-hydroxy-3-isopropyl-5-(4-methoxy-phenyl)-pent-4-ynoic acid

: 80902-00-7,88586-93-0,88586-94-1
Cyanobacterin

: 88525-60-4,88525-61-5
(3R,4S)-3-(7-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-hydroxy-4-isopropyl-6-(4-methoxy-phenyl)-3,4-dihydro-pyran-2-one

Guidance literature:: silver nitrate; In methanol;
DOI:10.1021/jo00178a042

Reference yield:

: 34098-18-5
5-chloro-3,4-dihydroxybenzaldehyde

: 80902-00-7,88586-93-0,88586-94-1
(3S,4R)-3-(7-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-hydroxy-4-isopropyl-5-[1-(4-methoxy-phenyl)-meth-(Z)-ylidene]-dihydro-furan-2-one

Guidance literature:: Multi-step reaction with 8 steps

1: NaF / dimethylformamide

2: NaH / 1,2-dimethoxy-ethane

3: H₂ / Pd / C

4: NaOH

5: LDA

6: 1.) LDA / 2.) THF , -78 to 0 deg C

8: 0.1N AgNO₃

With sodium hydroxide; hydrogen; sodium hydride; silver nitrate; sodium fluoride; lithium diisopropyl amide; palladium on activated charcoal; In 1,2-dimethoxyethane; N,N-dimethyl-formamide;
DOI:10.1021/jo00178a042

Reference yield:

: 19463-48-0
5-chlorovanillin

: 80902-00-7,88586-93-0,88586-94-1
(3S,4R)-3-(7-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-hydroxy-4-isopropyl-5-[1-(4-methoxy-phenyl)-meth-(Z)-ylidene]-dihydro-furan-2-one

Guidance literature:: Multi-step reaction with 9 steps

1: BCl₃

2: NaF / dimethylformamide

3: NaH / 1,2-dimethoxy-ethane

4: H₂ / Pd / C

5: NaOH

6: LDA

7: 1.) LDA / 2.) THF , -78 to 0 deg C

9: 0.1N AgNO₃

With sodium hydroxide; hydrogen; boron trichloride; sodium hydride; silver nitrate; sodium fluoride; lithium diisopropyl amide; palladium on activated charcoal; In 1,2-dimethoxyethane; N,N-dimethyl-formamide;
DOI:10.1021/jo00178a042