1-Methoxyindole-3-carbaldehyde

Base Information

• Chemical Name: 1-Methoxyindole-3-carbaldehyde
• CAS No.: 67282-55-7
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.187
• European Community (EC) Number: 881-660-4
• NSC Number: 708490
• DSSTox Substance ID: DTXSID50327976
• Nikkaji Number: J677.459H
• Wikidata: Q63409863
• Metabolomics Workbench ID: 49215
• ChEMBL ID: CHEMBL1969780
• Mol file: 67282-55-7.mol

Synonyms:1-methoxyindole-3-carbaldehyde;1-methoxy-1H-indole-3-carbaldehyde;67282-55-7;1-Methoxy-1H-indole-3-carboxaldehyde;NSC708490;1-Methoxy-3-carbaldehyde;1-Methoxy-3-formylindole;SCHEMBL672377;1-methoxy-3-indolecarbaldehyde;CHEMBL1969780;DTXSID50327976;CHEBI:173473;NSC-708490;NCI60_038422;1-Methoxy-1H-indole-3-carboxaldehyde, 9CI;EN300-8108217;Q63409863;Z1255366341

Chemical Property of 1-Methoxyindole-3-carbaldehyde

Chemical Property:

• Melting Point: 51 °C
• Boiling Point: 109-110 °C(Press: 0.06 Torr)
• PSA: 31.23000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 1.51220
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

1-methoxy-1H-Indole-3-carboxaldehyde 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CON1C=C(C2=CC=CC=C21)C=O

Technology Process of 1-Methoxyindole-3-carbaldehyde

There total 22 articles about 1-Methoxyindole-3-carbaldehyde 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%

1-methoxy-1H-3-indolecarbonitrile (91913-77-8) → 1-methoxy-1H-indole-3-carbaldehyde (67282-55-7)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at -78 ℃; for 0.333333h;

DOI:10.1021/jo040134l

Reference yield: 96.0%

1-methoxyindole (54698-11-2) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1-methoxy-1H-indole-3-carbaldehyde (67282-55-7)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; Cooling with ice;

1-methoxyindole; at 20 ℃; for 3h;

With sodium hydroxide; In water; Cooling with ice;

DOI:10.1016/j.bmc.2013.12.003

Reference yield: 93.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 1-hydroxy-1H-indole-3-carbaldehyde (67282-51-3) → 1-methoxy-1H-indole-3-carbaldehyde (67282-55-7)

Guidance literature:

upstream raw materials:

diazomethane

1-hydroxy-1H-indole-3-carbaldehyde

1-methoxyindole

N,N-dimethyl acetamide

Downstream raw materials:

4-(1-methoxy-indol-3-ylmethylene)-2-phenyl-4H-oxazol-5-one

brassicanal A

N-methoxyindole-3-methanol

3-aminomethylindole