Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-

Base Information

• Chemical Name: Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-
• CAS No.: 81257-92-3
• Molecular Formula: C₁₃H₁₃NO₄
• Molecular Weight: 247.251
• DSSTox Substance ID: DTXSID30230994
• Wikidata: Q83111793
• Mol file: 81257-92-3.mol

Synonyms:1,7,8,9-Tetrahydro-5-methoxypyrano(2,3-g)indole-2-carboxylic acid;Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-;Acide 5-methoxy-7,8,9-trihydro-pyranno(2,3-g)indole-2-carboxylique [French];81257-92-3;Acide 5-methoxy-7,8,9-trihydro-pyranno(2,3-g)indole-2-carboxylique;SCHEMBL10744965;DTXSID30230994;LS-127366

Chemical Property of Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-

Chemical Property:

• Vapor Pressure: 5.32E-12mmHg at 25°C
• Boiling Point: 528.5°C at 760 mmHg
• Flash Point: 273.5°C
• Density: 1.402g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 247.08445790
• Heavy Atom Count: 18
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C(=C3C(=C1)C=C(N3)C(=O)O)CCCO2

Technology Process of Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-

There total 6 articles about Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy- 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%

methoxy-5 tetrahydro-1,7,8,9 pyranno<2,3-g>indolecarboxylate-2 de methyle (81257-89-8) → acide methoxy-5 tetrahydro-1,7,8,9-pyranno<2,3-g>indolecarboxylique-2 (81257-92-3)

Guidance literature:

With hydrogenchloride; potassium hydroxide; water; 1) reflux, 1.5 h, MeOH; 2) 0 deg C, MeOH;

DOI:10.1139/v82-298

Reference yield: 98.0%

→ acide methoxy-5 tetrahydro-1,7,8,9-pyranno<2,3-g>indolecarboxylique-2 (81257-92-3)

Guidance literature:

Reference yield:

bromo-6 methoxy-8 chromanne (81258-21-1) → acide methoxy-5 tetrahydro-1,7,8,9-pyranno<2,3-g>indolecarboxylique-2 (81257-92-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 1) n-butyllithium / 1) ether, -50 deg C, 6 h; 2) ether, -50 deg C, 12 h

2: Na / methanol / 6 h / 0 °C

3: 38 percent / N₂ / xylene / 5 h / Heating

4: 98 percent / 1) KOH, H₂O; 2) 5 N HCl / 1) reflux, 1.5 h, MeOH; 2) 0 deg C, MeOH

With hydrogenchloride; potassium hydroxide; n-butyllithium; nitrogen; water; sodium; In methanol; xylene;

DOI:10.1139/v82-298

upstream raw materials:

methoxy-5 tetrahydro-1,7,8,9 pyranno<2,3-g>indolecarboxylate-2 de methyle

bromo-6 methoxy-8 chromanne

methoxy-8 dihydro-3,4 2H-benzopyranne-1 carbaldehyde-6

(Z)-2-Azido-3-(8-methoxy-chroman-6-yl)-acrylic acid methyl ester

Downstream raw materials:

5-methoxy-1,7,8,9-tetrahydropyrano<2,3-g>indole