Ethyl L-octahydroindole-2-carboxylate hydrochloride

Base Information

• Chemical Name: Ethyl L-octahydroindole-2-carboxylate hydrochloride
• CAS No.: 82864-25-3
• Molecular Formula: C11H19 N O2 . Cl H
• Molecular Weight: 233.738
• Hs Code.: 2933990090
• Mol file: 82864-25-3.mol

Synonyms:1H-Indole-2-carboxylicacid, octahydro-, ethyl ester, hydrochloride, [2S-(2a,3ab,7ab)]-

Chemical Property of Ethyl L-octahydroindole-2-carboxylate hydrochloride

Chemical Property:

• PSA: 38.33000
• LogP: 2.60100

Purity/Quality:

98% Min ^*data from raw suppliers

(2S,3aS,7aS)-Ethyloctahydro-1H-indole-2-carboxylatehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethyl L-octahydroindole-2-carboxylate hydrochloride

There total 2 articles about Ethyl L-octahydroindole-2-carboxylate hydrochloride 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:

Ethyl (S)-indoline-2-carboxylate hydrochloride (79854-42-5) → ethyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride (82864-25-3,79799-34-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/S0040-4039(00)87188-9

Reference yield:

(S)-indoline-2-carboxylic acid (79815-20-6,78348-24-0) → ethyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride (82864-25-3,79799-34-1)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: hydrogen / Pd/C / ethanol

With thionyl chloride; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/S0040-4039(00)87188-9

Reference yield: 78.0%

(S)-6-[[(Phenylmethoxy)carbonyl]amino]-2-hydroxyhexanoic acid (59221-35-1) + ethyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride (82864-25-3,79799-34-1) → (2S,3aS,7aS)-1-((S)-6-Benzyloxycarbonylamino-2-hydroxy-hexanoyl)-octahydro-indole-2-carboxylic acid ethyl ester (126110-92-7)

Guidance literature:

With benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1021/jm00167a028

upstream raw materials:

Ethyl (S)-indoline-2-carboxylate hydrochloride

(S)-indoline-2-carboxylic acid

Downstream raw materials:

(2S,3aS,7aS)-1-((S)-6-Benzyloxycarbonylamino-2-hydroxy-hexanoyl)-octahydro-indole-2-carboxylic acid ethyl ester

(2S,3aS,7aS)-1-((R)-4-Benzyloxycarbonylamino-4-ethoxycarbonyl-butyryl)-octahydro-indole-2-carboxylic acid ethyl ester

(2S,3aS,7aS)-perhydroindole-2-carboxylic acid

(2S,3aS,7aS)-1-(N-benzyloxycarbonyl-L-histidyl-γ-D-glutamyl)-octahydro-1H-indole-2-carboxylic acid