Mycobacidin

Base Information

Chemical Name:Mycobacidin
CAS No.:539-35-5
Molecular Formula:C₉H₁₅NO₃S
Molecular Weight:217.289
Hs Code.:2934999090
European Community (EC) Number:803-905-6
NSC Number:28674
UNII:UX05P33K8J
DSSTox Substance ID:DTXSID10275924,DTXSID80871750
Nikkaji Number:J6.382G,J88.553C
Wikidata:Q27291311
Metabolomics Workbench ID:113909
ChEMBL ID:CHEMBL4862934
Mol file:539-35-5.mol

Synonyms:4-oxo-thiazolidinehexanoic acid;acidomycin;actithiazic acid;mycobacidin

Suppliers and Price of Mycobacidin

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
ACIDOMYCIN 95.00%
5MG
$ 1045.00

Total 8 raw suppliers

Chemical Property of Mycobacidin

Chemical Property:

Vapor Pressure:3.58E-11mmHg at 25°C
Refractive Index:1.5250 (estimate)
Boiling Point:495.6°Cat760mmHg
Flash Point:253.5°C
PSA：95.19000
Density:1.214g/cm³
LogP:1.48650
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:217.07726451
Heavy Atom Count:14
Complexity:220

Purity/Quality:

98%min ^*data from raw suppliers

ACIDOMYCIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(=O)NC(S1)CCCCCC(=O)O

Technology Process of Mycobacidin

There total 11 articles about Mycobacidin 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: 89.0%

: 6032-95-7
methyl 6-(4-oxothiazolidin-2-yl)hexanoate

: 539-35-5,28223-69-0
6-(4-oxothiazolidin-2-yl)hexanoic acid

Guidance literature:: With sodium hydroxide; In methanol; water; at 23 ℃; for 2h;
DOI:10.1021/acsinfecdis.8b00345

Reference yield:

: 539-87-7
oxocan-2-one

: 539-35-5,28223-69-0
6-(4-oxothiazolidin-2-yl)hexanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: sulfuric acid / 16 h / 23 °C

2: sodium bromide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hypochlorite; sodium hydrogencarbonate / dichloromethane; water / 1 h / 0 - 23 °C

3: toluene-4-sulfonic acid / toluene / 16 h / 110 °C / Molecular sieve

4: sodium hydroxide / methanol; water / 2 h / 23 °C

With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sulfuric acid; sodium hydrogencarbonate; toluene-4-sulfonic acid; sodium bromide; sodium hydroxide; In methanol; dichloromethane; water; toluene; 1: |Fischer-Speier Esterification;
DOI:10.1021/acsinfecdis.8b00345