methyl 3-formyl-1H-indole-4-carboxylate

Base Information

• Chemical Name: methyl 3-formyl-1H-indole-4-carboxylate
• CAS No.: 53462-88-7
• Molecular Formula: C11H8NO3
• Molecular Weight: 203.197
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90496231
• Nikkaji Number: J3.576.086E
• Wikidata: Q72490931
• Mol file: 53462-88-7.mol

Synonyms:methyl 3-formyl-1H-indole-4-carboxylate;53462-88-7;Methyl 3-formylindole-4-carboxylate;3-FORMYL-1H-INDOLE-4-CARBOXYLIC ACID METHYL ESTER;MFCD06656838;3-Formylindole-4-carboxylic acid methyl ester;SCHEMBL4775501;DTXSID90496231;methyl 3-formyl-indole-4-carboxylate;AKOS005172479;methyl3-formyl-1H-indole-4-carboxylate;AC-27785;AS-68038;SY122868;A7781;CS-0036846;FT-0683306;3-formyl-4-indolecarboxylic acid methyl ester;3-formyl -4-indolecarboxylic acid methyl ester;EN300-317587;Q-102568;Z1509142357

Chemical Property of methyl 3-formyl-1H-indole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 134-135 °C(Solv: benzene (71-43-2))
• Refractive Index: 1.677
• Boiling Point: 404.415 °C at 760 mmHg
• PKA: 14.30±0.30(Predicted)
• Flash Point: 198.383 °C
• PSA: 59.16000
• Density: 1.342 g/cm³
• LogP: 1.76700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.058243149
• Heavy Atom Count: 15
• Complexity: 267

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-formylindole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C2C(=CC=C1)NC=C2C=O

Technology Process of methyl 3-formyl-1H-indole-4-carboxylate

There total 10 articles about methyl 3-formyl-1H-indole-4-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: 95.0%

methyl 1H-indole-4-carboxylate (39830-66-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-Formylindole-4-carboxylic acid methyl ester (53462-88-7)

Guidance literature:

N,N-dimethyl-formamide; With oxalyl dichloride; In dichloromethane; at 0 ℃; for 0.5h; Inert atmosphere;

methyl 1H-indole-4-carboxylate; In dichloromethane; at 20 ℃; for 1h;

Reference yield: 54.0%

methyl 1H-indole-4-carboxylate (39830-66-5) + N-methyl-N-phenylformamide (93-61-8) → 3-Formylindole-4-carboxylic acid methyl ester (53462-88-7)

Guidance literature:

With trichlorophosphate;

Reference yield: 54.0%

methanol (67-56-1) + (3-formylindol-4-yl)thallium (III) bistrifluoroacetate (141692-10-6) → 3-Formylindole-4-carboxylic acid methyl ester (53462-88-7)

Guidance literature:

With palladium diacetate;

upstream raw materials:

methanol

(3-formylindol-4-yl)thallium (III) bistrifluoroacetate

methyl 1H-indole-4-carboxylate

N,N-dimethyl-formamide

Downstream raw materials:

3-formyl-1-methyl-1H-indole-4-carboxylic acid methyl ester

C₂₀H₁₆N₄O₂

1,3,4,5-tetrahydro-pyrrolo[4,3,2-de]isoquinoline

3,4-dihydro-1H-pyrrolo[4,3,2-de]isoquinolin-5-one