5-Bromo-1H-indol-3-yl acetate

Base Information

• Chemical Name: 5-Bromo-1H-indol-3-yl acetate
• CAS No.: 17357-14-1
• Molecular Formula: C10H8BrNO2
• Molecular Weight: 254.083
• Hs Code.: 2933990090
• European Community (EC) Number: 241-387-8
• UNII: FBY7EQC6N4
• DSSTox Substance ID: DTXSID7066192
• Nikkaji Number: J207.941K
• Wikidata: Q81992773
• Mol file: 17357-14-1.mol

Synonyms:5-bromoindoxyl acetate

Chemical Property of 5-Bromo-1H-indol-3-yl acetate

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 2.16E-06mmHg at 25°C
• Melting Point: 130-132 °C(lit.)
• Refractive Index: 1.661
• Boiling Point: 393.3 °C at 760 mmHg
• Flash Point: 191.6 °C
• PSA: 42.09000
• Density: 1.632 g/cm³
• LogP: 2.85570
• Storage Temp.: 2-8°C
• Solubility.: ethanol: soluble50mg/mL, clear, colorless
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 252.97384
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Bromoindoxyl Acetate >98.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)OC1=CNC2=C1C=C(C=C2)Br
• Uses: 5-Bromoindoxyl acetate may be used:as esterase substrate to investigate the activity of non-specific esterase in the matrix of developing bovine enamelin histochemical studies of the nonspecific esterase of mouse epididymisas substrate to investigate the esterase activity in guinea-pig thyroid and mouse epididymis epithelial cellsin staining procedure for the frozen sections of muscle fixed in buffered formaldehyde

Technology Process of 5-Bromo-1H-indol-3-yl acetate

There total 7 articles about 5-Bromo-1H-indol-3-yl acetate 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: 99.0%

5-bromo-1H-indole (10075-50-0) + [bis(acetoxy)iodo]benzene (3240-34-4) → 5-bromo-3-indoxyl acetate (17357-14-1)

Guidance literature:

With potassium hydroxide; In acetonitrile; at 35 ℃; for 1.5h; Inert atmosphere;

Reference yield: 63.0%

5-bromo-3-iodo-1H-indole (868694-19-3) + silver(I) acetate (563-63-3) + acetic acid (64-19-7,77671-22-8) → 5-bromo-3-indoxyl acetate (17357-14-1)

Guidance literature:

at 95 ℃; for 1.5h; Inert atmosphere;

Reference yield: 52.0%

5-bromo-3-iodo-1H-indole (868694-19-3) + silver(I) acetate (563-63-3) → 5-bromo-3-indoxyl acetate (17357-14-1)

Guidance literature:

In acetic acid; at 90 ℃; for 1h;

DOI:10.1039/c4tc01563k

upstream raw materials:

5-bromoindoxyl diacetate

5-bromo-1H-indole

[bis(acetoxy)iodo]benzene

5-bromo-3-iodo-1H-indole

Downstream raw materials:

5-bromoindoxyl diacetate

1-acetyl-5-bromo-1,2-dihydro-3H-indol-3-one

1-acetyl-5-bromo-3-hydroxyindole

5,5'-dibromo-1H,1'H-[2,2']biindolylidene-3,3'-dione

Refernces

• 1、 -. "PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF". Paragraph 1219. . Retrieved 2019/11/04.
• 2、 Pennec, Alizé,Daniellou, Richard,Loyer, Pascal,Nugier-Chauvin, Caroline,Ferrières, Vincent. "Araf51 with improved transglycosylation activities: One engineered biocatalyst for one specific acceptor". . p. 50 - 55. Retrieved 2015/02/19.