5-Bromo-3-indolyl nonanoate

Base Information

• Chemical Name: 5-Bromo-3-indolyl nonanoate
• CAS No.: 133950-70-6
• Molecular Formula: C₁₇H₂₂BrNO₂
• Molecular Weight: 352.271
• Hs Code.: 2938909090
• DSSTox Substance ID: DTXSID80436242
• Nikkaji Number: J358.166G
• Wikidata: Q72457439
• Mol file: 133950-70-6.mol

Synonyms:5-Bromo-3-indolyl nonanoate;133950-70-6;5-Bromo-3-indoxyl nonanoate;(5-bromo-1H-indol-3-yl) Nonanoate;5-bromo-1H-indol-3-yl nonanoate;SCHEMBL5071939;DTXSID80436242;AMY41425;MFCD02683905;AKOS015914538;Nonanoic acid 5-bromo-1H-indol-3-yl ester;Nonanoic acid,5-bromo-1H-indol-3-yl ester;CS-0337760;B-8910

Chemical Property of 5-Bromo-3-indolyl nonanoate

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 464.037 °C at 760 mmHg
• Flash Point: 234.442 °C
• PSA: 42.09000
• Density: 1.298g/cm³
• LogP: 5.58640
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 351.08339
• Heavy Atom Count: 21
• Complexity: 324

Purity/Quality:

98%Min ^*data from raw suppliers

5-Bromo-3-indolyl nonanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(=O)OC1=CNC2=C1C=C(C=C2)Br

Technology Process of 5-Bromo-3-indolyl nonanoate

There total 1 articles about 5-Bromo-3-indolyl nonanoate 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:

Nonanoyl chloride (764-85-2) + 5-bromoindoxyl diacetate (33588-54-4) → pelargonate de bromo-5 indoxyle (133950-70-6)

Guidance literature:

With sodium hydroxide; Yield given. Multistep reaction; 2.) 4 deg C, overnight;

DOI:10.1016/0223-5234(90)90135-P

upstream raw materials:

Nonanoyl chloride

5-bromoindoxyl diacetate