alpha-Ergosine

Base Information

• Chemical Name: alpha-Ergosine
• CAS No.: 561-94-4
• Molecular Formula: C30H37 N5 O5
• Molecular Weight: 547.654
• NSC Number: 122047
• Mol file: 561-94-4.mol

Synonyms:NSC-122047;.alpha.-Ergosine;NESVMZOPWPCFAU-UHFFFAOYSA-N;NSC122047;12'-Hydroxy-5'-isobutyl-2'-methyl-3',6',18-trioxoergotaman-, (5.alpha.)-;Ergotaman-3',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'.alpha.)-;Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'.alpha.)-;WLN: T C6656 1A P GN LM IHT&&&J G1 EVM- DT B565 CO EVN HVNTJ BQ D1 G1Y1&1

Chemical Property of alpha-Ergosine

Chemical Property:

• Vapor Pressure: 1.24E-31mmHg at 25°C
• Melting Point: 224-225℃
• Refractive Index: 1.603
• Boiling Point: 861.4°Cat760mmHg
• PKA: 9?+-.0.60(Predicted)
• Flash Point: 474.7°C
• PSA: 118.21000
• Density: 1.42g/cm³
• LogP: 1.99880
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 547.27946930
• Heavy Atom Count: 40
• Complexity: 1140

Purity/Quality:

99%, ^*data from raw suppliers

Ergosine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
• Uses: Ergosine is an ergot alkaloid which are used in the treatment of vasoconstriction and as well as Parkinson’s disease. Also certain derivatives act as psychedelics mimicking lysergic acid.

Technology Process of alpha-Ergosine

There total 4 articles about alpha-Ergosine 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:

→ ergosine (561-94-4)

Guidance literature:

With ethanol; phosphoric acid; acetone;

DOI:10.1039/jr9370000396

Reference yield:

→ ergosine (561-94-4)

Guidance literature:

/BRN= 624379/-hydrochlorid(10a),Lysergsaeurechlorid-hydrochlorid,wfr.CH2Cl2,Py.;0-20grad;

DOI:10.1002/hlca.19640470731

Reference yield:

→ 12'-hydroxy-5'-isobutyl-2'-methyl-ergotamane-18,3',6'-trione (561-94-4,596-88-3)

Guidance literature:

Diketon (IX)*HCl, Lysergsaeurechlorid*HCl;