5H-Pyrido(4,3-b)indole-3-carboxylic acid, 1-methyl-

Base Information

• Chemical Name: 5H-Pyrido(4,3-b)indole-3-carboxylic acid, 1-methyl-
• CAS No.: 65032-81-7
• Molecular Formula: C13H10 N2 O2
• Molecular Weight: 226.235
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00215359
• Mol file: 65032-81-7.mol

Synonyms:65032-81-7;1-methyl-5H-pyrido[4,3-b]indole-3-carboxylic acid;5H-Pyrido(4,3-b)indole-3-carboxylic acid, 1-methyl-;BRN 0656126;1-Methyl-5H-pyrido(4,3-b)indole-3-carboxylic acid;DTXSID00215359;LS-133448

Chemical Property of 5H-Pyrido(4,3-b)indole-3-carboxylic acid, 1-methyl-

Chemical Property:

• Vapor Pressure: 1.19E-11mmHg at 25°C
• Boiling Point: 520.3°C at 760 mmHg
• Flash Point: 268.5°C
• PSA: 65.98000
• Density: 1.431g/cm³
• LogP: 2.72270
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 226.074227566
• Heavy Atom Count: 17
• Complexity: 321

Purity/Quality:

99% ^*data from raw suppliers

1-METHYL-5H-PYRIDO-(4,3-B)INDOLE-3-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C3=CC=CC=C3NC2=CC(=N1)C(=O)O

Technology Process of 5H-Pyrido(4,3-b)indole-3-carboxylic acid, 1-methyl-

There total 23 articles about 5H-Pyrido(4,3-b)indole-3-carboxylic acid, 1-methyl- 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%

ethyl 1-methyl-5H-pyrido<4,3-b>indole-3-carboxylate (96286-19-0) → 1-methyl-5H-pyrido<4,3-b>indole-3-carboxylic acid (65032-81-7)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; Ambient temperature;

DOI:10.1016/S0040-4039(00)60661-5

Reference yield: 95.0%

methyl 1-methyl-5H-pyrido<4,3-b>indole-3-carboxylate (143618-97-7) → 1-methyl-5H-pyrido<4,3-b>indole-3-carboxylic acid (65032-81-7)

Guidance literature:

With sodium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1021/jo00048a026

Reference yield:

(1H-indol-2-ylmethyl)dimethylamine (13993-04-9) → 1-methyl-5H-pyrido<4,3-b>indole-3-carboxylic acid (65032-81-7)

Guidance literature:

Multi-step reaction with 6 steps

1: ethanol / 1 h / 20 °C

2: sodium / ethanol; 20 deg C; 3 days;

3: 95 percent / Na₂CO₃ / H₂O / Heating

4: 87 percent / thionyl chloride / Heating

5: 98 percent / sulfur / xylene / Heating; lead tetraacetate as reagent in pyridine;

6: 96 percent / aq.NaOH / ethanol / Heating

With sodium hydroxide; thionyl chloride; sodium; sodium carbonate; sulfur; In ethanol; water; xylene;

DOI:10.1246/bcsj.58.123

upstream raw materials:

methyl 1-methyl-5H-pyrido<4,3-b>indole-3-carboxylate

ethyl 1-methyl-5H-pyrido<4,3-b>indole-3-carboxylate

1-(methoxymethyl)-1H-indole

1-(methoxymethyl)-1H-indole-2-carbaldehyde

Downstream raw materials:

Tryptophan p 2 acetate

3-amino-1-methyl-5H-pyrido[4,3-b]indole