N-[(R)-sec-Butyl]lysergamide

Base Information

• Chemical Name: N-[(R)-sec-Butyl]lysergamide
• CAS No.: 137765-82-3
• Molecular Formula: C20H25 N3 O
• Molecular Weight: 0
• ChEMBL ID: CHEMBL66335
• DSSTox Substance ID: DTXSID60929889
• Nikkaji Number: J457.329C
• Wikidata: Q6710119
• Mol file: 137765-82-3.mol

Synonyms:CHEMBL66335;N-[(R)-sec-Butyl]lysergamide;SCHEMBL24635620;DTXSID60929889;7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid sec-butylamide;BDBM50008224;AKOS027326565;Q6710119;(6aR,9R)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((R)-sec-butyl)-amide

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Chemical Property of N-[(R)-sec-Butyl]lysergamide

Chemical Property:

• Vapor Pressure: 1.44E-13mmHg at 25°C
• Refractive Index: 1.659
• Boiling Point: 582.7°Cat760mmHg
• Flash Point: 306.2°C
• PSA: 48.13000
• Density: 1.23g/cm³
• LogP: 3.28110
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 323.199762429
• Heavy Atom Count: 24
• Complexity: 531

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C
• Isomeric SMILES: CC[C@@H](C)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C

Technology Process of N-[(R)-sec-Butyl]lysergamide

There total 2 articles about N-[(R)-sec-Butyl]lysergamide 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: 94.0%

(R)-sec-butylamine (13250-12-9) + D-lysergic acid (82-58-6) → (R)-2-butylsergamide (137765-82-3)

Guidance literature:

With trichlorophosphate; In chloroform; for 0.0833333h; Heating;

DOI:10.1021/jm00080a001

Reference yield:

→ 6-methyl-9,10-didehydro-ergoline-8-carboxylic acid sec-butylamide (100768-06-7,100768-14-7,137765-82-3,137765-84-5)

Guidance literature:

Lysergsaeureazid, sek-Butylamin;

upstream raw materials:

(R)-sec-butylamine

D-lysergic acid

Refernces