2,3,4,9-Tetrahydro-1H-carbazol-5-ol

Base Information

• Chemical Name: 2,3,4,9-Tetrahydro-1H-carbazol-5-ol
• CAS No.: 35618-96-3
• Molecular Formula: C₁₂H₁₃NO
• Molecular Weight: 187.241
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00546094
• Wikidata: Q82423797
• Mol file: 35618-96-3.mol

Synonyms:2,3,4,9-Tetrahydro-1H-carbazol-5-ol;35618-96-3;5-Hydroxy-2,3,4,9-tetrahydrocarbazole;6,7,8,9-TETRAHYDRO-5H-CARBAZOL-4-OL;5-Hydroxy-1,2,3,4-tetrahydrocarbazole;SCHEMBL11843637;SCHEMBL11843643;DTXSID00546094

Chemical Property of 2,3,4,9-Tetrahydro-1H-carbazol-5-ol

Chemical Property:

• Boiling Point: 393.8±37.0 °C(Predicted)
• PKA: 10.21±0.20(Predicted)
• PSA: 36.02000
• Density: 1.272±0.06 g/cm3(Predicted)
• LogP: 2.75230
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 187.099714038
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

5-Hydroxy-2,3,4,9-tetrahydrocarbazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C3=C(N2)C=CC=C3O
• Uses: 5-Hydroxy-2,3,4,9-tetrahydrocarbazole is an intermediate used in the preparation of Vindoline analogues and Carvedilol derivatives.

Technology Process of 2,3,4,9-Tetrahydro-1H-carbazol-5-ol

There total 2 articles about 2,3,4,9-Tetrahydro-1H-carbazol-5-ol 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: 9.0%

1,2,3,4-tetrahydrocarbazole (942-01-8) → 5,6,7,8-tetrahydro-carbazol-4-ol (35618-96-3) + 1,2,3,4-tetrahydro-6-hydroxycarbazole (13314-76-6) + 5,6,7,8-tetrahydro-carbazol-2-ol (13314-79-9)

Guidance literature:

With hydrogen fluoride; dihydrogen peroxide; antimony pentafluoride; at -20 ℃; for 0.05h;

DOI:10.1016/S0040-4039(00)85004-2

Reference yield:

→ 5,6,7,8-tetrahydro-carbazol-4-ol (35618-96-3)

Guidance literature:

Aus (V), ⁺;

Reference yield:

5,6,7,8-tetrahydro-carbazol-4-ol (35618-96-3) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1,2,3,4-tetrahydro-5-(2,3-epoxy-propoxy)-carbazole

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; at 40 ℃;

DOI:10.1021/jm401090a

upstream raw materials:

1,2,3,4-tetrahydrocarbazole

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