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Neorustmicin A

Base Information Edit
  • Chemical Name:Neorustmicin A
  • CAS No.:100157-26-4
  • Molecular Formula:C21H32 O5
  • Molecular Weight:364.48
  • Hs Code.:
  • Wikidata:Q77280041
  • Metabolomics Workbench ID:115494
  • ChEMBL ID:CHEMBL284267
  • Mol file:100157-26-4.mol
Neorustmicin A

Synonyms:galbonolide B;neorustmicin A

Suppliers and Price of Neorustmicin A
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
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Chemical Property of Neorustmicin A Edit
Chemical Property:
  • Vapor Pressure:3.15E-14mmHg at 25°C 
  • Boiling Point:546.6°Cat760mmHg 
  • Flash Point:185.3°C 
  • PSA:83.83000 
  • Density:1.09g/cm3 
  • LogP:3.11550 
  • XLogP3:3.3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:2
  • Exact Mass:364.22497412
  • Heavy Atom Count:26
  • Complexity:616
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCC1C(=CC(=C)CC(C=C(CC(C(=O)C(C(=O)O1)C)(CO)O)C)C)C
  • Isomeric SMILES:CC[C@H]1/C(=C/C(=C)C[C@@H](/C=C(/C[C@@](C(=O)[C@H](C(=O)O1)C)(CO)O)\C)C)/C
Technology Process of Neorustmicin A

There total 17 articles about Neorustmicin A 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:
Guidance literature:
Multi-step reaction with 14 steps
1: 1.) t-BuLi / 1.) ether, pentane, -78 deg C, 90 min, 2.) ether, THF, pentane, -78 deg C, 2 h
2: 1.) Martin's sulfurane reagent, 2.) Et4NF / 1.) CH2Cl2, RT, 2.) DMF, RT, overnight
3: 1.) oxalyl chloride, DMSO, 2.) Et3N / 1.) CH2Cl2, -78 deg C, 1 h, 2.) CH2Cl2, -78 deg C, 15 min
4: 1.) LiCl, DBU / 1.) CH3CN, RT, 2.) CH3CN, 0 deg C, 1 h
5: 96 percent / DIBAL-H / CH2Cl2; hexane / 2 h / -78 °C
6: I2, PPh3, imidazole / diethyl ether; acetonitrile / 0.5 h / -30 °C
7: LiHMDS, HMPA / tetrahydrofuran / 1 h / -78 °C
8: Et4NF, 4 Angstroem molecular sieves / dimethylsulfoxide / 90 °C
9: diethyl ether / 0.08 h / Ambient temperature
10: 99 percent / pyridine, DMAP / 1 h / Ambient temperature
11: 75 percent / LiHMDS / tetrahydrofuran / 1 h / Heating
12: 1.) KOt-Bu / 1.) DMF, THF, 0 deg C, 10 min, 2.) DMF, THF, 0 deg C, 1 h
13: 1.) KOt-Bu, 2.) gl. AcOH / 1.) DMF, THF, 0 deg C, 10 min
14: 95 percent / aq. AcOH / 0.5 h / Ambient temperature
With pyridine; 1H-imidazole; N,N,N,N,N,N-hexamethylphosphoric triamide; dmap; oxalyl dichloride; Martins sulfurane; 4 A molecular sieve; potassium tert-butylate; iodine; tert.-butyl lithium; diisobutylaluminium hydride; tetraethylammonium fluoride; acetic acid; dimethyl sulfoxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; triphenylphosphine; lithium chloride; lithium hexamethyldisilazane; In tetrahydrofuran; diethyl ether; hexane; dichloromethane; dimethyl sulfoxide; acetonitrile;
DOI:10.1021/ja961344l
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