5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid

Base Information

• Chemical Name: 5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid
• CAS No.: 106517-64-0
• Molecular Formula: C₁₀H₇NO₄
• Molecular Weight: 205.17
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30358647
• Wikidata: Q82139375
• Mol file: 106517-64-0.mol

Synonyms:5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid;106517-64-0;MFCD03848056;5H-1,3-Dioxolo[4,5-f]indole-6-carboxylicacid;SCHEMBL2400125;DTXSID30358647;BJRAHWGTBUCWCY-UHFFFAOYSA-N;AKOS037643962;SB30454;AS-43327;SY268912;5,6-Methylenedioxyindole-2-carboxylic acid;5,6-Methylenedioxyindole-3-carboxylic acid;CS-0341889;2H,5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid

Chemical Property of 5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid

Chemical Property:

• Melting Point: 250-251 °C (decomp)
• Boiling Point: 492.8±40.0 °C(Predicted)
• PKA: 4.48±0.20(Predicted)
• PSA: 71.55000
• Density: 1.633±0.06 g/cm3(Predicted)
• LogP: 1.59480
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 205.03750770
• Heavy Atom Count: 15
• Complexity: 283

Purity/Quality:

97% ^*data from raw suppliers

5H-[1,3]Dioxolo[4,5-f]indole-6-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C3C(=C2)C=C(N3)C(=O)O

Technology Process of 5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid

There total 6 articles about 5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid 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: 86.0%

5H-1,3-dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester (94527-32-9) → 5,6-methylenedioxyindolyl-2-carboxylic acid (106517-64-0)

Guidance literature:

With lithium hydroxide; In ethanol; for 16h; Reflux;

Reference yield: 74.0%

5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid methyl ester (136818-52-5) → 5,6-methylenedioxyindolyl-2-carboxylic acid (106517-64-0)

Guidance literature:

With lithium hydroxide; water; In 1,4-dioxane; at 25 ℃; for 15h;

Reference yield: 27.0%

6-iodobenzo[d][1,3]dioxol-5-amine (1000802-34-5) + 2-oxo-propionic acid (127-17-3) → 5,6-methylenedioxyindolyl-2-carboxylic acid (106517-64-0)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; palladium diacetate; In N,N-dimethyl-formamide; at 110 ℃;

DOI:10.1016/j.bmc.2018.10.011

upstream raw materials:

5H-1,3-dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester

5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid methyl ester

piperonal

(Z)-2-azido-3-(1,3-benzodioxol-5-yl)acrylic acid methyl ester

Downstream raw materials:

N-(3,4-dihydroxyphenethyl)-5,6-dihydroxy-1H-indole-2-carboxamide

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