ZJ6GA3Hdy9

Base Information

• Chemical Name: ZJ6GA3Hdy9
• CAS No.: 103729-18-6
• Molecular Formula: C₁₄H₁₈BrN
• Molecular Weight: 280.208
• UNII: ZJ6GA3HDY9
• Nikkaji Number: J386.353K
• Mol file: 103729-18-6.mol

Synonyms:3-(2-bromophenyl)octahydroindolizine;McN 5195;McN-5195;RWJ 22757;RWJ-22757

Chemical Property of ZJ6GA3Hdy9

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 328.3°Cat760mmHg
• Flash Point: 152.4°C
• PSA: 3.24000
• Density: 1.36g/cm³
• LogP: 4.07640
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 279.06226
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN2C(C1)CCC2C3=CC=CC=C3Br
• Isomeric SMILES: C1CCN2[C@@H](C1)CC[C@H]2C3=CC=CC=C3Br

Technology Process of ZJ6GA3Hdy9

There total 18 articles about ZJ6GA3Hdy9 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: 37.0%

→ R-(R*,R*)-trans-octahydro-3-(bromophenyl)indolizine (123409-80-3,103729-18-6)

Guidance literature:

Reference yield:

pyridine-2-carbaldehyde (1121-60-4) → (-)-(R)-trans-3-(2-bromophenyl)octahydroindolizine (103729-18-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 50 percent / 10percent NaOH / methanol / 1.5 h / 10 °C

2: H₂, glacial HOAc / 5percent Rh/C / 72 h / 3102.9 Torr

With sodium hydroxide; hydrogen; acetic acid; Rh on carbon; In methanol;

DOI:10.1021/jm00093a019

Reference yield:

pyridine-2-carbaldehyde (1121-60-4) → (+)-(S)-trans-3-(2-bromophenyl)octahydroindolizine (103729-18-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 50 percent / 10percent NaOH / methanol / 1.5 h / 10 °C

2: H₂, glacial HOAc / 5percent Rh/C / 72 h / 3102.9 Torr

With sodium hydroxide; hydrogen; acetic acid; Rh on carbon; In methanol;

DOI:10.1021/jm00093a019

upstream raw materials:

pyridine-2-carbaldehyde

2-bromophenyl methyl ketone

1-(2-bromophenyl)-3-(2-pyridinyl)-2-propen-1-one