7-Chloro-1H-indole

Base Information

• Chemical Name: 7-Chloro-1H-indole
• CAS No.: 53924-05-3
• Molecular Formula: C8H6ClN
• Molecular Weight: 151.595
• Hs Code.: 29339990
• European Community (EC) Number: 258-865-7
• UNII: TP2MHC8CJ2
• DSSTox Substance ID: DTXSID80202207
• Nikkaji Number: J279.539F
• Wikidata: Q72452240
• ChEMBL ID: CHEMBL111579
• Mol file: 53924-05-3.mol

Synonyms:7-Chloroindole;53924-05-3;7-Chloro-1H-indole;1H-Indole, 7-chloro-;MFCD01321301;EINECS 258-865-7;7-chloro indole;7-chloro-indole;Indole, 7-chloro;3,5-xylyloxyaceticacid;7-Chloroindole, 97%;TP2MHC8CJ2;BIDD:GT0137;SCHEMBL443938;CHEMBL111579;DTXSID80202207;BCP26628;AKOS005174238;CS-W020039;FS-2241;SB14992;AC-24620;SY029004;A7832;AM20060937;C2436;FT-0621389;C-4250;EN300-117693;7-Chloro-1H-indole pound>>1H-Indole, 7-chloro-;Z1255488512

Chemical Property of 7-Chloro-1H-indole

Chemical Property:

• Appearance/Colour: Beige-yellowish powder
• Vapor Pressure: 0.00309mmHg at 25°C
• Melting Point: 55-58 °C(lit.)
• Refractive Index: 1.688
• Boiling Point: 293 °C at 760 mmHg
• PKA: 15.42±0.30(Predicted)
• Flash Point: 158.9 °C
• PSA: 15.79000
• Density: 1.331 g/cm³
• LogP: 2.82130
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 151.0188769
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

7-Chloroindole >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Cl)NC=C2
• Uses: 7-Chloroindole may be used in the preparation of 1-methyl-7-chloroindole and glycosylated 7-chloroindole-3-acetamide.

Technology Process of 7-Chloro-1H-indole

There total 32 articles about 7-Chloro-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: 98.0%

methyl 7-chloro-indole-1-carboxylate → 7-chloro-1H-indole (53924-05-3)

Guidance literature:

With potassium hydroxide; In methanol; for 1h; Reflux;

DOI:10.1002/adsc.201701512

Reference yield: 94.0%

2,3-dihydro-7-chloro-1H-indole (114144-22-8) → 7-chloro-1H-indole (53924-05-3)

Guidance literature:

With salcomine; oxygen; In methanol; at 20 ℃; for 24h;

DOI:10.1248/cpb.54.788

Reference yield: 80.0%

2-oxo-propionic acid (127-17-3) + (2-chlorophenyl)hydrazine (10449-07-7) → 7-chloro-1H-indole (53924-05-3)

Guidance literature:

With phosphorus pentachloride; zinc(II) chloride; for 0.0833333h; microwave irradiation;

DOI:10.1016/j.tetlet.2007.12.015

upstream raw materials:

7-Chloro-1H-indole-2-carboxylic acid

N-(2-chlorophenyl)ethenesulfinamide

vinyl magnesium bromide

2-Chloronitrobenzene

Downstream raw materials:

7-chloro-N,N-dimethyl-1H-indole-3-methanamine

2-(7-chloro-1H-indol-3-yl)ethanamine

2-(7-chloro-1H-indol-3-yl)-2-oxoacetyl chloride

3-(7-chloro-1H-indol-3-yl)-2,5-dichloro[1,4]benzoquinone

Refernces

• 1、 Iqbal, Saqib A.,Cid, Jessica,Procter, Richard J.,Uzelac, Marina,Yuan, Kang,Ingleson, Michael J.. "Acyl-Directed ortho-Borylation of Anilines and C7 Borylation of Indoles using just BBr3". supporting information. p. 15381 - 15385. Retrieved 2019/10/22.
• 2、 -. "A indole compound and its preparation method and application (by machine translation)". Paragraph 0131; 0162; 0163. . Retrieved 2018/10/02.