6-Chloro-5-methoxy-1H-indole

Base Information

• Chemical Name: 6-Chloro-5-methoxy-1H-indole
• CAS No.: 63762-72-1
• Molecular Formula: C9H8ClNO
• Molecular Weight: 181.61900
• Hs Code.: 2933990090
• European Community (EC) Number: 837-684-2
• DSSTox Substance ID: DTXSID70518804
• Wikidata: Q72453139
• Mol file: 63762-72-1.mol

Synonyms:6-CHLORO-5-METHOXY-1H-INDOLE;63762-72-1;6-chloro-5-methoxyindole;MFCD11848567;6-Chloro-5-methoxy indole;5-methoxy-6-chloro-1H-indole;SCHEMBL7866316;AMY9879;DTXSID70518804;SSBPRGFEADRKDA-UHFFFAOYSA-N;1H-Indole, 6-chloro-5-methoxy-;AKOS016846033;DS-5251;SB14722;SY103872;CS-0036414;EN300-209571;A852046;Z1255373562

Chemical Property of 6-Chloro-5-methoxy-1H-indole

Chemical Property:

• Vapor Pressure: 0.000315mmHg at 25°C
• Melting Point: 140-142℃
• Boiling Point: 330.7oC at 760 mmHg
• PKA: 15.80±0.30(Predicted)
• Flash Point: 153.8oC
• PSA: 25.02000
• Density: 1.317g/cm3
• LogP: 2.82990
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 181.0294416
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

6-chloro-5-methoxy-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C=CN2)Cl

Technology Process of 6-Chloro-5-methoxy-1H-indole

There total 8 articles about 6-Chloro-5-methoxy-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: 54.0%

2-(4-chloro-5-methoxy-2-nitrophenyl)-1-dimethylamino ethylene (99474-19-8) → 6-chloro-5-methoxy-1H-indole (63762-72-1)

Guidance literature:

With iron; In ethanol; acetic acid; for 3h; Heating;

Reference yield:

N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + 1-chloro-2-fluoro-4-methyl-5-nitrobenzene (118664-99-6) → 6-chloro-5-methoxy-1H-indole (63762-72-1) + 6-Chloro-5-fluoro-1H-indole (122509-72-2)

Guidance literature:

N,N-dimethyl-formamide dimethyl acetal; 1-chloro-2-fluoro-4-methyl-5-nitrobenzene; In N,N-dimethyl-formamide; at 125 ℃; for 3h;

With iron; acetic acid; In ethanol; at 90 ℃; for 2h;

DOI:10.1021/jm801317h

Reference yield:

C13H15ClN2O3 (1203844-49-8) → 6-chloro-5-methoxy-1H-indole (63762-72-1)

Guidance literature:

With hydrazine hydrate; Raney nickel; In tetrahydrofuran; methanol; at 45 - 50 ℃; for 2.5h;

upstream raw materials:

2-chloro-5-<(β-dimethylamino)-vinyl>-4-nitroanisole

2-(4-chloro-5-methoxy-2-nitrophenyl)-1-dimethylamino ethylene

2-chloro-5-methylphenol

2-chloro-5-methyl-4-nitro-phenol

Downstream raw materials:

N-[2-(6-chloro-5-methoxy-indol-3-yl)-ethyl]-acetamide

2-(1-Benzyl-2-bromo-6-chloro-5-methoxy-1H-indol-3-yl)-acetamide

(1-Benzyl-2-bromo-6-chloro-5-methoxy-1H-indol-3-yl)-acetic acid methyl ester

(1-Benzyl-6-chloro-5-methoxy-1H-indol-3-yl)-acetic acid methyl ester