Methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate

Base Information

• Chemical Name: Methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate
• CAS No.: 379260-71-6
• Molecular Formula: C12H11 N O4
• Molecular Weight: 233.22
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10406458
• Wikidata: Q82211428
• Mol file: 379260-71-6.mol

Synonyms:Methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;379260-71-6;Methyl3-Formyl-6-methoxy-1H-indole-2-carboxylate;SCHEMBL4877545;DTXSID10406458;MFCD04114756;1H-INDOLE-2-CARBOXYLIC ACID, 3-FORMYL-6-METHOXY-, METHYL ESTER;AKOS004119585;AB18909;LS-09716;CS-0314063;FT-0746006

Chemical Property of Methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate

Chemical Property:

• Melting Point: 185 °C
• Boiling Point: 455.2±45.0 °C(Predicted)
• PKA: 13.70±0.30(Predicted)
• PSA: 68.39000
• Density: 1.329±0.06 g/cm3(Predicted)
• LogP: 1.77560
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 233.06880783
• Heavy Atom Count: 17
• Complexity: 307

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)C=O

Technology Process of Methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate

There total 3 articles about Methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate 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%

methyl 6-methoxy-1H-indole-2-carboxylate (98081-83-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate (379260-71-6)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; In dichloromethane; at 0 ℃; for 0.5h;

methyl 6-methoxy-1H-indole-2-carboxylate; In dichloromethane; at 0 ℃; for 0.5h; Further stages.;

DOI:10.1021/jm010085u

Reference yield:

6-Methoxyindole-2-carboxylic acid (16732-73-3) → methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate (379260-71-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sulfuric acid / 24 h / Reflux; Inert atmosphere

2.1: trichlorophosphate / 0.17 h / 0 °C / Inert atmosphere

2.2: 4.67 h / 0 - 60 °C / Inert atmosphere

2.3: pH 8 / Cooling; Inert atmosphere

With sulfuric acid; trichlorophosphate; 2.1: |Vilsmeier-Haack Formylation / 2.2: |Vilsmeier-Haack Formylation / 2.3: |Vilsmeier-Haack Formylation;

DOI:10.1080/14756366.2018.1493473

Reference yield:

→ methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate (379260-71-6)

Guidance literature:

With trichlorophosphate; at 0 - 20 ℃; for 0.166667h; Inert atmosphere;

at 0 - 80 ℃; for 1.5h;

upstream raw materials:

methyl 6-methoxy-1H-indole-2-carboxylate

N,N-dimethyl-formamide

6-Methoxyindole-2-carboxylic acid

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