5-Bromo-4-chloro-3-indolyl acetate

Base Information

• Chemical Name: 5-Bromo-4-chloro-3-indolyl acetate
• CAS No.: 3252-36-6
• Molecular Formula: C10H7BrClNO2
• Molecular Weight: 288.528
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID60186238
• Nikkaji Number: J1.146.791A
• Wikidata: Q27162356
• Mol file: 3252-36-6.mol

Synonyms:5-bromo-4-chloroindoxyl acetate;BCDA

Chemical Property of 5-Bromo-4-chloro-3-indolyl acetate

Chemical Property:

• Vapor Pressure: 1.42E-07mmHg at 25°C
• Melting Point: 106-107℃
• Refractive Index: 1.667
• Boiling Point: 429.3 °C at 760 mmHg
• PKA: 14.03±0.30(Predicted)
• Flash Point: 213.4 °C
• PSA: 42.09000
• Density: 1.721 g/cm³
• LogP: 3.50910
• Storage Temp.: −20°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 286.93487
• Heavy Atom Count: 15
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-4-chloro-3-indolyl acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 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)Cl
• Uses: A histochemical substrate for esterase.

Technology Process of 5-Bromo-4-chloro-3-indolyl acetate

There total 2 articles about 5-Bromo-4-chloro-3-indolyl 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:

1-acetyl-5-bromo-4-chloro-3-indolyl acetate (3030-06-6) → (5-bromo-4-chloroindol-3-yl) acetate (3252-36-6)

Guidance literature:

With sodium hydroxide; water; unter Stickstoff und Behandeln der Reaktionsloesung mit Acetanhydrid;

Reference yield:

→ (5-bromo-4-chloroindol-3-yl) acetate (3252-36-6)

Guidance literature:

DOI:10.1002/hlca.19640470809

Reference yield: 25.0%

(5-bromo-4-chloroindol-3-yl) acetate (3252-36-6) + 2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide (572-09-8) → (5-bromo-4-chloroindol-3-yl)-β-D-glucopyranoside (15548-60-4,1174456-59-7)

Guidance literature:

With sodium methylate; In methanol; at 0 ℃; for 18h;

upstream raw materials:

1-acetyl-5-bromo-4-chloro-3-indolyl acetate

Downstream raw materials:

5,5'-dibromo-4,4'-dichloro-1H,1'H-[2,2']biindolylidene-3,3'-dione

(5-bromo-4-chloroindol-3-yl)-β-D-glucopyranoside