Alternariol

Base Information Edit

Chemical Name:Alternariol
CAS No.:641-38-3
Molecular Formula:C14H10 O5
Molecular Weight:258.23
Hs Code.:2914400090
European Community (EC) Number:636-339-1
NSC Number:638263
UNII:KN9L4260JW
DSSTox Substance ID:DTXSID80214305
Nikkaji Number:J12.511C
Wikipedia:Alternariol
Wikidata:Q410677
Metabolomics Workbench ID:44589
ChEMBL ID:CHEMBL519982
Mol file:641-38-3.mol

Synonyms:alternariol

Suppliers and Price of Alternariol

Supply Marketing:Edit

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

Usbiological
Alternariol
1mg
$ 319.00

TRC
Alternariol
10mg
$ 345.00

TRC
Alternariol
5mg
$ 195.00

SynQuest Laboratories
Alternariol 99%
1 mg
$ 184.00

SynQuest Laboratories
Alternariol 99%
5 mg
$ 688.00

Sigma-Aldrich
Alternariol analytical standard
100 μg
$ 846.00

Sigma-Aldrich
Alternariol analytical standard
0.1mg
$ 820.00

Sigma-Aldrich
Alternariol from Alternaria sp. ~96%
5mg
$ 711.00

Medical Isotopes, Inc.
Alternariol
1 mg
$ 890.00

Crysdot
Alternariol 95+%
5mg
$ 587.00

Total 25 raw suppliers

Chemical Property of Alternariol Edit

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:350°C (rough estimate)
Refractive Index:1.4560 (estimate)
Boiling Point:586.894°C at 760 mmHg
PKA:7.16±0.20(Predicted)
Flash Point:232.286°C
PSA：90.90000
Density:1.563g/cm³
LogP:2.37140
Storage Temp.:2-8°C
Solubility.:≤0.5mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:258.05282342
Heavy Atom Count:19
Complexity:371

Purity/Quality:

98%,99%, ^*data from raw suppliers

Alternariol ^*data from reagent suppliers

Safty Information:

Pictogram(s): T+
Hazard Codes:T+
Statements: 26/27/28
Safety Statements: 28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O
Description Alternariol is a mycotoxin, a toxic secondary fungal metabolite, produced by Alternaria molds. It is cytotoxic, fetotoxic, teratogenic, mutagenic, and genotoxic. It induces cytochrome P450 1A1 expression and apoptosis in mouse hepatoma cells (20-40 μM). Alternariol, whose synthesis is inhibited by light, naturally occurs on fruits, vegetables, and cereals, such as apples, tomatoes, and wheat.
Uses Alternariol from Alternaria sp. may be used as a calibration standard in reverse phase high-performance liquid chromatography (HPLC) and UV-spectrum analysis. It may also be used to spike wholemeal wheat flour for wet baking studies

Technology Process of Alternariol

There total 13 articles about Alternariol 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: 98.0%

: 13872-98-5
3,7,9-trimethoxy-1-methyl-6H-dibenzo[b,d]pyran-6-one

: 641-38-3
alternariol

Guidance literature:: With boron tribromide; In dichloromethane; at 20 ℃;
DOI:10.1055/a-1698-8328

Reference yield:

: 3209-13-0
O-methylorcinol

: 641-38-3
alternariol

Guidance literature:: Multi-step reaction with 3 steps

1: N-Bromosuccinimide / chloroform / 3 h / -63 - 20 °C / Darkness

2: caesium carbonate; tricyclohexylphosphine; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ / 1-methyl-pyrrolidin-2-one / 20 h / 100 °C / Inert atmosphere

3: boron tribromide / dichloromethane / 20 °C

With N-Bromosuccinimide; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; boron tribromide; caesium carbonate; tricyclohexylphosphine; In 1-methyl-pyrrolidin-2-one; dichloromethane; chloroform;
DOI:10.1055/a-1698-8328

Reference yield:

: 34132-31-5
2-bromo-3-hydroxy-5-methoxytoluene

: 641-38-3
alternariol

Guidance literature:: Multi-step reaction with 2 steps

1: caesium carbonate; tricyclohexylphosphine; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ / 1-methyl-pyrrolidin-2-one / 20 h / 100 °C / Inert atmosphere

2: boron tribromide / dichloromethane / 20 °C

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; boron tribromide; caesium carbonate; tricyclohexylphosphine; In 1-methyl-pyrrolidin-2-one; dichloromethane;
DOI:10.1055/a-1698-8328