Bromolysergide

Base Information

• Chemical Name: Bromolysergide
• CAS No.: 478-84-2
• Molecular Formula: C20H24 Br N3 O
• Molecular Weight: 402.334
• UNII: JUA77QEU32
• DSSTox Substance ID: DTXSID30878496
• Nikkaji Number: J6.151D
• Wikipedia: 2-Bromo-LSD
• Wikidata: Q4596865
• Pharos Ligand ID: WKLT3DUZ32BP
• ChEMBL ID: CHEMBL274384
• Mol file: 478-84-2.mol

Synonyms:2 bromolysergic acid diethylamide;2-bromolysergic acid diethylamide;2-bromolysergic diethylamide;BOL;BOL 148;bromo-LSD

Chemical Property of Bromolysergide

Chemical Property:

• Vapor Pressure: 1.77E-13mmHg at 25°C
• Melting Point: 120-127°
• Refractive Index: 1.6770 (estimate)
• Boiling Point: 580.7°Cat760mmHg
• PKA: 15.65±0.40(Predicted)
• Flash Point: 305°C
• PSA: 39.34000
• Density: 1.44g/cm³
• LogP: 3.60640
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 401.11027
• Heavy Atom Count: 25
• Complexity: 561

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)C1CN(C2CC3=C(NC4=CC=CC(=C34)C2=C1)Br)C
• Isomeric SMILES: CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=C(NC4=CC=CC(=C34)C2=C1)Br)C

Technology Process of Bromolysergide

There total 2 articles about Bromolysergide 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: 73.4%

lysergide (50-37-3) → 2-bromo-lysergide (478-84-2)

Guidance literature:

With pyridazinium bromide; 3-bromo-6-chloro-2-methylimidazo; In dichloromethane; for 0.0333333h; Ambient temperature;

Reference yield: 73.4%

→ 2-bromo-lysergide (478-84-2)

Guidance literature:

Reference yield:

2-bromo-lysergide (478-84-2) → 2-bromo-1,6-dimethyl-9,10-didehydro-ergoline-8β-carboxylic acid diethylamide (50484-98-5)

Guidance literature:

With ammonia; potassium amide; und anschliessend mit CH₃I in Aether;

DOI:10.1002/hlca.19570400716

upstream raw materials:

lysergide

Downstream raw materials:

2-bromo-1,6-dimethyl-9,10-didehydro-ergoline-8β-carboxylic acid diethylamide

Refernces

• 1、 Stanovnik, Branko,Tisler, Miha,Jurgec, Milan,Rucman, Rudolf. "BROMINATION OF α-ERGOCRYPTINE AND OTHER ERGOT ALKALOIDS WITH 3-BROMO-6-CHLORO-2-METHYLIMIDAZO/1,2-b/PYRIDAZINE-BROMINE COMPLEX AS A NEW BROMINATING AGENT". . p. 741 - 745. Retrieved 2007/10/02.