1H-Indole-2-carboxylicacid,octahydro-,(2R,3aS,7aR)-rel-(9CI)

Base Information

• Chemical Name: 1H-Indole-2-carboxylicacid,octahydro-,(2R,3aS,7aR)-rel-(9CI)
• CAS No.: 87679-58-1
• Molecular Formula: C₉H₁₅NO₂
• Molecular Weight: 169.224
• Mol file: 87679-58-1.mol

Synonyms:1H-Indole-2-carboxylicacid, octahydro-, (2a,3aa,7ab)-; rel-(2S,3AR,7aS)-hexahydroindoline-2-carboxylicacid

Chemical Property of 1H-Indole-2-carboxylicacid,octahydro-,(2R,3aS,7aR)-rel-(9CI)

Chemical Property:

• PSA: 49.33000
• LogP: 1.32050
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Sparingly), Methanol (sparingly)

Purity/Quality:

99% ^*data from raw suppliers

rel-(2S,3aR,7aS)-Octahydroindole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Indole-2-carboxylicacid,octahydro-,(2R,3aS,7aR)-rel-(9CI)

There total 18 articles about 1H-Indole-2-carboxylicacid,octahydro-,(2R,3aS,7aR)-rel-(9CI) 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: 85.0%

(2R,3aS,7aR)-1-Acetyl-octahydro-indole-2-carbonitrile (87623-95-8,88500-10-1,89226-37-9,89226-38-0) → rac-trans-octahydroindole-2-carboxylic acid (80828-13-3,80875-98-5,82717-40-6,87679-20-7,87679-39-8,87679-51-4,87679-58-1,88547-85-7,88585-94-8,96844-78-9,108507-42-2,145438-94-4,145438-95-5,145513-90-2,145513-91-3,145513-92-4,145513-93-5,2055118-14-2)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/S0040-4039(00)87864-8

Reference yield: 70.0%

indolin-2-yl carboxylic acid (16851-56-2,78348-24-0) → (+/-)-(2S,3aS,7aS)-octahydroindole-2-carboxylic acid (80828-13-3,80875-98-5,82717-40-6,87679-20-7,87679-39-8,87679-51-4,87679-58-1,88547-85-7,88585-94-8,96844-78-9,108507-42-2,145438-94-4,145438-95-5,145513-90-2,145513-91-3,145513-92-4,145513-93-5,2055118-14-2) + (+/-)-(2R,3aS,7aS)-octahydroindole-2-carboxylic acid (80828-13-3,80875-98-5,82717-40-6,87679-20-7,87679-39-8,87679-51-4,87679-58-1,88547-85-7,88585-94-8,96844-78-9,108507-42-2,145438-94-4,145438-95-5,145513-90-2,145513-91-3,145513-92-4,145513-93-5,2055118-14-2)

Guidance literature:

With hydrogen; acetic acid; platinum(IV) oxide; at 60 ℃; for 24h;

DOI:10.1016/j.tetasy.2007.09.006

Reference yield: 70.0%

indolin-2-yl carboxylic acid (16851-56-2,78348-24-0) → (+/-)-(2S,3aS,7aS)-octahydroindole-2-carboxylic acid (80828-13-3,80875-98-5,82717-40-6,87679-20-7,87679-39-8,87679-51-4,87679-58-1,88547-85-7,88585-94-8,96844-78-9,108507-42-2,145438-94-4,145438-95-5,145513-90-2,145513-91-3,145513-92-4,145513-93-5,2055118-14-2) + (+/-)-(2R,3aS,7aS)-octahydroindole-2-carboxylic acid (80828-13-3,80875-98-5,82717-40-6,87679-20-7,87679-39-8,87679-51-4,87679-58-1,88547-85-7,88585-94-8,96844-78-9,108507-42-2,145438-94-4,145438-95-5,145513-90-2,145513-91-3,145513-92-4,145513-93-5,2055118-14-2)

Guidance literature:

With hydrogen; acetic acid; platinum(IV) oxide; at 60 ℃; for 24h;

DOI:10.1016/j.tetasy.2007.09.006

upstream raw materials:

(4aR,8aS)-3-Chloro-octahydro-quinolin-2-one

(2R,3aS,7aR)-1-Acetyl-octahydro-indole-2-carbonitrile

N-[(1S,2R)-2-(2-Chloro-2-cyano-ethyl)-cyclohexyl]-acetamide

trans-3,4,4a,5,6,7,8,8a-Octahydro-2(1H)-quinolinone

Downstream raw materials:

(2α,3aβ,7aβ)-1-<3-(acetylthio)-2-methyl-1-oxopropyl>octahydro-1H-indole-2-carboxylic acid

(2R,3aR,7aR)-1-((S)-3-Acetylsulfanyl-2-methyl-propionyl)-octahydro-indole-2-carboxylic acid

(+/-)-benzyl (2S,3aS,7aS)-octahydroindole-2-carboxylate p-toluenesulfonic acid salt

C₂₀H₂₈NO₉P

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