6-Norcabergoline

Base Information

• Chemical Name: 6-Norcabergoline
• CAS No.: 153415-36-2
• Molecular Formula: C₂₃H₃₃N₅O₂
• Molecular Weight: 411.547
• European Community (EC) Number: 868-206-0
• UNII: JM77AM8HNR
• Mol file: 153415-36-2.mol

Synonyms:6-Norcabergoline;Des-N-allyl cabergoline;JM77AM8HNR;UNII-JM77AM8HNR;FCE-27392;153415-36-2;(8beta)-N-(3-(Dimethylamino)propyl)-N-((ethylamino)carbonyl)ergoline-8-carboxamide;Ergoline-8-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-, (8beta)-;SCHEMBL5742858;XOLPCQSBSDIBGB-YVWKXTFCSA-N;N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl)-ergoline-8beta-carboxamide;(8.BETA.)-N-(3-(DIMETHYLAMINO)PROPYL)-N-((ETHYLAMINO)CARBONYL)ERGOLINE-8-CARBOXAMIDE;ERGOLINE-8-CARBOXAMIDE, N-(3-(DIMETHYLAMINO)PROPYL)-N-((ETHYLAMINO)CARBONYL)-, (8.BETA.)-

Chemical Property of 6-Norcabergoline

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 411.26342531
• Heavy Atom Count: 30
• Complexity: 627

Purity/Quality:

Des-N-allylcabergoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)NC1
• Isomeric SMILES: CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)NC1

Technology Process of 6-Norcabergoline

There total 1 articles about 6-Norcabergoline 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: 94.8%

N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-1,6-di(tert-butoxycarbonyl)-ergoline-8β-carboxamide (864366-98-3) → 6-Norcabergoline (153415-36-2)

Guidance literature:

N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-1,6-di(tert-butoxycarbonyl)-ergoline-8β-carboxamide; With hydrogenchloride; water; at 35 ℃; for 2h;

With ammonia; In dichloromethane; water; pH=11;

Reference yield: 92.3%

6-Norcabergoline (153415-36-2) + Allyl acetate (591-87-7) → cabergoline (81409-90-7,856676-33-0)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; at 20 ℃; for 2h;

upstream raw materials:

N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-1,6-di(tert-butoxycarbonyl)-ergoline-8β-carboxamide

Downstream raw materials:

cabergoline