1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate

Base Information

• Chemical Name: 1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate
• CAS No.: 3030-06-6
• Molecular Formula: C12H9BrClNO3
• Molecular Weight: 330.565
• Hs Code.: 2933990090
• European Community (EC) Number: 221-200-6
• DSSTox Substance ID: DTXSID80184392
• Nikkaji Number: J205.337C
• Wikidata: Q72434870
• Mol file: 3030-06-6.mol

Synonyms:1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate;3030-06-6;(1-acetyl-5-bromo-4-chloroindol-3-yl) acetate;5-Bromo-4-chloroindoxyl 1,3-diacetate;1H-Indol-3-ol, 1-acetyl-5-bromo-4-chloro-, acetate (ester);3-acetoxy-1-acetyl-5-bromo-4-chloroindole;1-Acetyl-5-bromo-4-chloro-3-indolyl Acetate;MFCD00040632;N-Acetyl-5-bromo-4-chloroindol-3-yl acetate;5-Bromo-4-chloro-indoxyl-1,3-diacetate;Acetic acid-(1-acetyl-5-bromo-4-chloro-1H-indol-3-yl) ester;C12H9BrClNO3;1-Acetyl-5-bromo-4-chloro-1H-indol-3-ol acetate;DTXSID80184392;AMY27055;CS-M1903;EINECS 221-200-6;ZB0793;AKOS015898220;GS-3363;5-Bromo-4-chloroindolyl 1,3-diacetate;SY048238;5-Bromo-4-chloro-3-indoxyl 1,3-diacetate;FT-0634611;5-Bromo-4-chloroindoxyl 1,3-diacetate, 98%;A22338;W-200576;Ethanone, 1-[3-(acetyloxy)-5-bromo-4-chloro-1H-indol-1-yl]-

Chemical Property of 1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate

Chemical Property:

• Appearance/Colour: Brown Powder
• Vapor Pressure: 1.4E-07mmHg at 25°C
• Melting Point: 165-168 °C(lit.)
• Refractive Index: 1.631
• Boiling Point: 429.5 °C at 760 mmHg
• Flash Point: 213.5 °C
• PSA: 48.30000
• Density: 1.646 g/cm³
• LogP: 3.64260
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 328.94543
• Heavy Atom Count: 18
• Complexity: 365

Purity/Quality:

99%, ^*data from raw suppliers

5-Bromo-4-chloro-3-indolyl-1,3-diacetate ^*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)N1C=C(C2=C1C=CC(=C2Cl)Br)OC(=O)C
• Uses: 5-Bromo-4-chloroindoxyl 1,3-diacetate was used as starting reagent in the synthesis of 5,5′-dibromo-4,4′-dichloroindigo.

Technology Process of 1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate

There total 2 articles about 1-Acetyl-5-bromo-4-chloro-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:

3-bromo-6-(carboxymethyl-amino)-2-chloro-benzoic acid (3030-10-2) + acetic anhydride (108-24-7) → 1-acetyl-5-bromo-4-chloro-3-indolyl acetate (3030-06-6)

Guidance literature:

With sodium acetate;

Reference yield:

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

Guidance literature:

3-Chlor-4-brom-phenylglycin-carbonsaeure-(2) u. (CH3CO)2O + wss. fr. Na-acetat b. 125-130grad;

DOI:10.1002/hlca.19640470809

Reference yield: 98.0%

1-acetyl-5-bromo-4-chloro-3-indolyl acetate (3030-06-6) → 1-acetyl-5-bromo-4-chloro-3-hydroxyindole (125328-76-9)

Guidance literature:

With sulfuric acid; at 0 ℃; for 0.0333333h; Inert atmosphere;

DOI:10.1039/c9ra05797h

upstream raw materials:

3-bromo-6-(carboxymethyl-amino)-2-chloro-benzoic acid

acetic anhydride

Downstream raw materials:

(5-bromo-4-chloroindol-3-yl) acetate

1-acetyl-5-bromo-4-chloro-3-hydroxyindole

pelargonate de bromo-5 chloro-4 indoxyle

1-acetyl-5-bromo-4-chloroindolin-3-one