5-Methoxy-1-Methyl-4-Nitroindole-3-Carboxaldehyde

Base Information

Chemical Name:5-Methoxy-1-Methyl-4-Nitroindole-3-Carboxaldehyde
CAS No.:191846-76-1
Molecular Formula:C₁₁H₁₀N₂O₄
Molecular Weight:234.211
Hs Code.:2933990090
DSSTox Substance ID:DTXSID10445761
Wikidata:Q82264289
Mol file:191846-76-1.mol

Synonyms:191846-76-1;5-Methoxy-1-Methyl-4-Nitroindole-3-Carboxaldehyde;5-methoxy-1-methyl-4-nitro-1H-indole-3-carbaldehyde;5-methoxy-1-methyl-4-nitroindole-3-carbaldehyde;SCHEMBL3690189;DTXSID10445761;YDMDOIHSAYQATQ-UHFFFAOYSA-N;AS-70052;CS-0333737;FT-0620548;D95891

Suppliers and Price of 5-Methoxy-1-Methyl-4-Nitroindole-3-Carboxaldehyde

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
5-METHOXY-1-METHYL-4-NITROINDOLE-3-CARBOXALDEHYDE 95.00%
5MG
$ 505.46

Alfa Aesar
5-Methoxy-1-methyl-4-nitroindole-3-carboxaldehyde, 90+%
5g
$ 486.00

Alfa Aesar
5-Methoxy-1-methyl-4-nitroindole-3-carboxaldehyde, 90+%
1g
$ 145.00

Alfa Aesar
5-Methoxy-1-methyl-4-nitroindole-3-carboxaldehyde, 90+%
250mg
$ 52.20

Total 8 raw suppliers

Chemical Property of 5-Methoxy-1-Methyl-4-Nitroindole-3-Carboxaldehyde

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:190°C (dec.)
Refractive Index:1.615
Boiling Point:455.7°Cat760mmHg
Flash Point:229.4°C
PSA：77.05000
Density:1.37g/cm³
LogP:2.43080
Sensitive.:Air Sensitive
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:234.06405680
Heavy Atom Count:17
Complexity:317

Purity/Quality:

99% ^*data from raw suppliers

5-METHOXY-1-METHYL-4-NITROINDOLE-3-CARBOXALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Hazard Codes:R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Statements: 20/21/22
Safety Statements: 22-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=C(C2=C1C=CC(=C2[N+](=O)[O-])OC)C=O

Technology Process of 5-Methoxy-1-Methyl-4-Nitroindole-3-Carboxaldehyde

There total 3 articles about 5-Methoxy-1-Methyl-4-Nitroindole-3-Carboxaldehyde 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%

: 39974-94-2
5-methoxy-1-methyl-1H-indole-3-carbaldehyde

: 191846-76-1
5-methoxy-1-methyl-4-nitro-1H-indole-3-carbaldehyde

Guidance literature:: With nitric acid; In acetic acid; at 0 ℃;
DOI:10.1021/ol400884v

Reference yield:

: 10601-19-1
5-methoxyindole-3-carboxaldehyde

: 191846-76-1
5-methoxy-1-methyl-4-nitro-1H-indole-3-carbaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, 0.5 h, 2.) DMF, RT, 1 h

2: 84 percent / HNO₃(conc.), AcOH / 1.) 0 deg C, 3 h, 2.) RT, 16 h

With nitric acid; sodium hydride; acetic acid;
DOI:10.1021/jm9608422

Reference yield:

: 1006-94-6
5-methoxylindole

: 191846-76-1
5-methoxy-1-methyl-4-nitro-1H-indole-3-carbaldehyde

Guidance literature:: Multi-step reaction with 3 steps

1: trichlorophosphate / 0 - 20 °C

2: sodium hydride / N,N-dimethyl-formamide

3: nitric acid / acetic acid / 0 °C

With nitric acid; sodium hydride; trichlorophosphate; In acetic acid; N,N-dimethyl-formamide;
DOI:10.1021/ol400884v