Holomycin

Base Information

Chemical Name:Holomycin
CAS No.:488-04-0
Molecular Formula:C7H6N2O2S2
Molecular Weight:214.269
Hs Code.:
UNII:44CF65YLF8
DSSTox Substance ID:DTXSID40197605
Nikkaji Number:J6.029A
Wikidata:Q27258732
Metabolomics Workbench ID:105699
ChEMBL ID:CHEMBL476226
Mol file:488-04-0.mol

Synonyms:holomycin

Suppliers and Price of Holomycin

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

TRC
Holomycin
25mg
$ 1695.00

Medical Isotopes, Inc.
Holomycin
50 mg
$ 2200.00

American Custom Chemicals Corporation
HOLOMYCIN 95.00%
5MG
$ 505.70

Total 7 raw suppliers

Chemical Property of Holomycin

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:268 °C (decomp)
Boiling Point:532.1°Cat760mmHg
PKA:9.33±0.40(Predicted)
Flash Point:275.6°C
PSA：122.19000
Density:1.63g/cm³
LogP:2.62290
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:213.98706979
Heavy Atom Count:13
Complexity:360

Purity/Quality:

99% ^*data from raw suppliers

Holomycin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1=C2C(=CSS2)NC1=O

Technology Process of Holomycin

There total 11 articles about Holomycin 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:

: 90993-81-0
6-amino-4H-[1,2]dithiolo[4,3-b]pyrrol-5-one hydrochloride

: 75-36-5
acetyl chloride

: 488-04-0
N-(5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl)-acetamide

Guidance literature:: With triethylamine; In tetrahydrofuran; at 20 ℃; for 0.5h;
DOI:10.1039/b616411k

Reference yield:

: 62698-47-9
6-acetylamino-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrole-3-carboxylic acid methyl ester

: 488-04-0
N-(5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl)-acetamide

Guidance literature:: With lithium iodide; In pyridine; Heating;
DOI:10.1021/jo00437a023

Reference yield:

: 62698-42-4
2-(4-methoxy-phenyl)-2-methyl-6,7-dioxo-5,6,7,7a-tetrahydro-[1,3]dithiino[5,4-b]pyrrole-4-carboxylic acid methyl ester

: 488-04-0
N-(5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl)-acetamide

Guidance literature:: Multi-step reaction with 5 steps

1: Et₃N / CH₂Cl₂

2: tetrahydrofuran / Heating

3: (i) MCPBA, CH₂Cl₂ (ii) HClO₄

4: benzene / Heating

5: LiI / pyridine / Heating

With triethylamine; lithium iodide; In tetrahydrofuran; pyridine; dichloromethane; benzene;
DOI:10.1021/jo00437a023