AKOS BBS-00005410

Base Information

• Chemical Name: AKOS BBS-00005410
• CAS No.: 38002-61-8
• Molecular Formula: C₁₄H₁₀ClNO
• Molecular Weight: 243.692
• Hs Code.: 2933990090
• European Community (EC) Number: 661-042-9
• DSSTox Substance ID: DTXSID50365277
• Wikidata: Q82149806
• ChEMBL ID: CHEMBL1651449
• Mol file: 38002-61-8.mol

Synonyms:1-carbazol-9-yl-2-chloroethan-1-one;1-Carbazol-9-yl-2-chloro-ethanone;9-Chloracetyl-carbazol;9-chloroacetyl-carbazole;10-(chloroacetyl)-10H-carbazole;N-chloroacetyl-carbazole;1-(9H-carbazol-9-yl)-2-chloro-1-ethanone;9H-Carbazole,9-(chloroacetyl);

Chemical Property of AKOS BBS-00005410

Chemical Property:

• PSA: 22.00000
• LogP: 3.67350
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 243.0450916
• Heavy Atom Count: 17
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

9-(CHLOROACETYL)-9H-CARBAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)CCl

Technology Process of AKOS BBS-00005410

There total 2 articles about AKOS BBS-00005410 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: 90.0%

9H-carbazole (86-74-8,105184-46-1,97960-57-1) + chloroacetyl chloride (79-04-9) → 1-(9H-carbazol-9-yl)-2-chloro-1-ethanone (38002-61-8)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 48h;

DOI:10.1016/j.ejmech.2010.10.019

Reference yield:

9H-carbazole (86-74-8,105184-46-1,97960-57-1) + Chloroacetic anhydride (541-88-8) → 1-(9H-carbazol-9-yl)-2-chloro-1-ethanone (38002-61-8)

Guidance literature:

With sulfuric acid;

Reference yield: 95.0%

1-(9H-carbazol-9-yl)-2-chloro-1-ethanone (38002-61-8) → 1-(9H-carbazol-9-yl)-2-iodo-1-ethanone (43170-45-2)

Guidance literature:

With sodium iodide; In acetone; for 5h;

DOI:10.1134/S1070363211120176

upstream raw materials:

9H-carbazole

chloroacetyl chloride

Chloroacetic anhydride

Downstream raw materials:

2-<(diisopropoxyphosphinothioyl)imino>-3-phenyl-4-thiazolidinone

1-(9H-carbazol-9-yl)-2-iodo-1-ethanone

1-[2-oxo-2-(9H-carbazol-9-yl)ethyl]-4-methylpyridinium chloride

Refernces

• 1、 Sarmiento, Gabriela P.,Vitale, Roxana G.,Afeltra, Javier,Moltrasio, Graciela Y.,Moglioni, Albertina G.. "Synthesis and antifungal activity of some substituted phenothiazines and related compounds". experimental part. p. 101 - 105. Retrieved 2011/02/25.