5,6-dichloro-1H-indole

Base Information

• Chemical Name: 5,6-dichloro-1H-indole
• CAS No.: 121859-57-2
• Molecular Formula: C8H5Cl2N
• Molecular Weight: 186.04
• Hs Code.: 2933990090
• European Community (EC) Number: 695-212-9
• DSSTox Substance ID: DTXSID90440698
• Wikidata: Q72466515
• Mol file: 121859-57-2.mol

Synonyms:5,6-Dichloroindole;5,6-dichloro-1H-indole;121859-57-2;1H-Indole, 5,6-dichloro-;MFCD01075036;5,6-Dichloro Indole;SCHEMBL613747;DTXSID90440698;ILINOHVVKWYAFM-UHFFFAOYSA-N;MFCD1075036;AKOS005258958;CS-W019826;PB23210;PS-3876;SY010727;AM20020306;D4924;FT-0647424;D-2100;EN300-122213;Z1201620800

Chemical Property of 5,6-dichloro-1H-indole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 150.0 to 154.0 °C
• Refractive Index: 1.695
• Boiling Point: 331.254 °C at 760 mmHg
• PKA: 15.19±0.30(Predicted)
• Flash Point: 184.263 °C
• PSA: 15.79000
• Density: 1.479 g/cm³
• LogP: 3.47470
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 184.9799046
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

5,6-Dichloroindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC2=CC(=C(C=C21)Cl)Cl

Technology Process of 5,6-dichloro-1H-indole

There total 5 articles about 5,6-dichloro-1H-indole 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: 93.0%

5,7-dichloroisatin (6374-92-1) → 5,6-dichloro-1H-indole (121859-57-2)

Guidance literature:

With BH₃; In tetrahydrofuran;

Reference yield: 92.0%

1,2-dichloro-4-methyl-5-nitrobenzene (7494-45-3) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 5,6-dichloro-1H-indole (121859-57-2)

Guidance literature:

1,2-dichloro-4-methyl-5-nitrobenzene; N,N-dimethyl-formamide dimethyl acetal; With pyrrolidine; In 1,4-dioxane; at 102 ℃; for 5h; Reflux; Inert atmosphere;

With hydrazine hydrate; In 1,4-dioxane; at 45 ℃; for 1h;

DOI:10.1039/c3ra45548c

Reference yield: 27.0%

(E)-2-(4,5-dichloro-2-nitrophenyl)-N,N-dimethylethenamine (229481-09-8) → 5,6-dichloro-1H-indole (121859-57-2)

Guidance literature:

With iron; acetic acid; In ethanol; at 60 - 90 ℃; for 3h;

upstream raw materials:

1,2-dichloro-4-methyl-5-nitrobenzene

N,N-dimethyl-formamide dimethyl acetal

5,7-dichloroisatin

3,4-Dichlorotoluene

Downstream raw materials:

(2R,3R)-2-(2,4-difluorophenyl)-3-[4-(5,6-dichloro-1H-indol-3-ylmethyl)-piperazin-1-yl]-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

2-(5,6-dichloro-1H-indol-3-yl)acetic acid

{3-[4-(4-butyryl-5-methyl-pyrazol-1-yl)phenylcarbamoyl]-5,6-dichloro-indol-1-yl}acetic acid methyl ester

sodium {3-[4-(4-butyryl-5-methyl-pyrazol-1-yl)phenylcarbamoyl]-5,6-dichloro-indol-1-yl}acetate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 121859-57-2 5,6-DICHLOROINDOLE

Send

Send

Metric Ton KG G Pound L ML

Send

Send