Octahydro-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: Octahydro-1H-indole-2-carboxylic acid
• CAS No.: 80828-13-3
• Molecular Formula: C₉H₁₅NO₂
• Molecular Weight: 169.224
• Hs Code.: 2933990090
• Mol file: 80828-13-3.mol

Synonyms:Octahydro-1H-2-carboxylic acid;(±)-trans-octahydroindole-2-carboxylic acid;

Chemical Property of Octahydro-1H-indole-2-carboxylic acid

Chemical Property:

• Appearance/Colour: white crystalline solid
• Melting Point: 233-234 °C (decomp)(Solv: 1,4-dioxane (123-91-1); water (7732-18-5))
• Boiling Point: 318.6 °C at 760 mmHg
• PKA: 2.47±0.20(Predicted)
• Flash Point: 146.5 °C
• PSA: 49.33000
• Density: 1.135 g/cm³
• LogP: 1.32050
• Storage Temp.: -15°C

Purity/Quality:

99% ^*data from raw suppliers

(2S,3aS,7aS)-2-Carboxyoctahydroindole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid is a reactant in the preparation of Perindoprilat (P287530), an angiotensin-converting enzyme (ACE) inhibitor. Antihypertensive. Trandolapril intermediate

Technology Process of Octahydro-1H-indole-2-carboxylic acid

There total 24 articles about Octahydro-1H-indole-2-carboxylic acid 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: 100.0%

(S)-2-{(S)-2-[2-Amino-4-(ethoxy-methyl-phosphinoyl)-butyrylamino]-propionylamino}-propionic acid (120979-32-0,121795-08-2) → γ--L-α-aminobutyryl-L-alanyl-L-alanine (35597-43-4,53861-33-9,121795-09-3)

Guidance literature:

With phosphodiesterase I; In water; at 37 ℃; for 6h; pH 8.8;

Reference yield: 100.0%

N-L-(2-methyl-2-oxo-1,2-azaphospholidin-5-ylcarbonyl)-L-alanyl-L-alanine ethyl ester (120979-33-1) → γ--L-α-aminobutyryl-L-alanyl-L-alanine (35597-43-4,53861-33-9,121795-09-3)

Guidance literature:

With hydrogenchloride; at 35 - 40 ℃; time 30 - 60 min;

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

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:

N-[1-(S)-carbethoxy-3-phenylpropyl]-(S)-alanyl-2R,3aS,7aR-octahydroindole-2-carboxylic acid

trandolapril

(2α,3aβ,7aβ)-1-(3-bromobenzoyl)octahydro-1H-indole-2-carboxylic acid

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