Epoxyquinomicin B

Base Information

Chemical Name:Epoxyquinomicin B
CAS No.:175448-32-5
Molecular Formula:C₁₄H₁₁NO₆
Molecular Weight:289.244
Hs Code.:
DSSTox Substance ID:DTXSID10938668
Nikkaji Number:J909.257I
Wikidata:Q76279120
Metabolomics Workbench ID:115837
ChEMBL ID:CHEMBL317846
Mol file:175448-32-5.mol

Synonyms:epoxyquinomicin B

Suppliers and Price of Epoxyquinomicin B

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

American Custom Chemicals Corporation
BENZAMIDE, 2-HYDROXY-N-(6-(HYDROXYMETHYL)-2,5-DIOXO-7-OXABICYCLO(4.1.0)HEPT-3-EN-3-YL)-, (1S)- 95.00%
5MG
$ 502.18

Total 1 raw suppliers

Chemical Property of Epoxyquinomicin B

Chemical Property:

Vapor Pressure:1.61E-16mmHg at 25°C
Boiling Point:625.7°Cat760mmHg
Flash Point:332.2°C
PSA：119.72000
Density:1.63g/cm³
LogP:-0.13760
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:289.05863707
Heavy Atom Count:21
Complexity:542

Purity/Quality:

95% ^*data from raw suppliers

BENZAMIDE, 2-HYDROXY-N-(6-(HYDROXYMETHYL)-2,5-DIOXO-7-OXABICYCLO(4.1.0)HEPT-3-EN-3-YL)-, (1S)- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)NC2=CC(=O)C3(C(C2=O)O3)CO)O
Isomeric SMILES:C1=CC=C(C(=C1)C(=O)NC2=CC(=O)[C@]3([C@@H](C2=O)O3)CO)O

Technology Process of Epoxyquinomicin B

There total 7 articles about Epoxyquinomicin B 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: 95.0%

: 329349-93-1
N-[6-(tert-butyl-dimethyl-silanyloxymethyl)-2,5-dioxo-7-oxa-bicyclo[4.1.0]hept-3-en-3-yl]-2-hydroxy-benzamide

: 175448-32-5
epoxyquinomycin B

Guidance literature:: With pyridine hydrogenfluoride; In tetrahydrofuran; for 0.166667h;
DOI:10.1002/1521-3773(20010105)40:1<207::AID-ANIE207>3.0.CO;2-K

Reference yield: 85.0%

: 2-(2-hydroxybenzoylamino)-5-hydroxymethyl-2,5-cyclohexadiene-1,4-dione

: 175448-32-5
2-Hydroxy-N-((1S,6R)-6-hydroxymethyl-2,5-dioxo-7-oxa-bicyclo[4.1.0]hept-3-en-3-yl)-benzamide

Guidance literature:: With dihydrogen peroxide; sodium hydrogencarbonate; In methanol; for 2h; Ambient temperature;
DOI:10.1016/S0960-894X(98)00529-0

Reference yield:

: 131230-76-7
4-[(tert-butyldimethylsilyloxy)methyl]aniline

: 175448-32-5
epoxyquinomycin B

Guidance literature:: Multi-step reaction with 4 steps

1: 100 percent / Et₃N / CH₂Cl₂ / 0.33 h / 25 °C

2: 43 percent / Dess-Martin periodinane; H₂O / CH₂Cl₂ / 6 h / 25 °C

3: 100 percent / H₂O₂; K₂CO₃ / tetrahydrofuran; H₂O / 0.5 h / 25 °C

4: 95 percent / HF*py / tetrahydrofuran / 0.17 h / 20 °C

With water; dihydrogen peroxide; potassium carbonate; Dess-Martin periodane; pyridine hydrogenfluoride; triethylamine; In tetrahydrofuran; dichloromethane; water;
DOI:10.1021/ja012125p