(S)-Indoline-2-carboxylic acid ethyl ester

Base Information

• Chemical Name: (S)-Indoline-2-carboxylic acid ethyl ester
• CAS No.: 82923-81-7
• Molecular Formula: C11H13 N O2
• Molecular Weight: 191.23
• Hs Code.: 2933990090
• European Community (EC) Number: 676-186-8
• DSSTox Substance ID: DTXSID80452548
• Wikidata: Q72483091
• Mol file: 82923-81-7.mol

Synonyms:82923-81-7;(S)-Indoline-2-carboxylic acid ethyl ester;ETHYL (2S)-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLATE;(S)-ethyl indoline-2-carboxylate;Ethyl (S)-indoline-2-carboxylate;(S)-Indoline-2-carboxylic acid ethyl ester, HCl;s-die;SCHEMBL3182006;Ethyl(S)-indoline-2-carboxylate;(s)-2,3-dihydro-1h-indole-2-carboxylic acid ethyl ester;DTXSID80452548;KISPUTPAKVZNBI-JTQLQIEISA-N;AKOS017343324;(S)indoline-2-carboxylic acid ethyl ester;EN300-2660144;Q-102929

Chemical Property of (S)-Indoline-2-carboxylic acid ethyl ester

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.538
• Boiling Point: 307.151°C at 760 mmHg
• Flash Point: 139.56°C
• PSA: 38.33000
• Density: 1.134g/cm³
• LogP: 1.72430
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

(S)-Indoline-2-carboxylicAcidEthylEsterHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CC2=CC=CC=C2N1
• Isomeric SMILES: CCOC(=O)[C@@H]1CC2=CC=CC=C2N1

Technology Process of (S)-Indoline-2-carboxylic acid ethyl ester

There total 3 articles about (S)-Indoline-2-carboxylic acid ethyl ester 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: 95.0%

ethanol (64-17-5) + (S)-indoline-2-carboxylic acid (79815-20-6,78348-24-0) → (S)-2,3-dihydro-1H-indole-2-carboxylic acid ethyl ester (82923-81-7)

Guidance literature:

With thionyl chloride;

DOI:10.1016/S0040-4039(00)61728-8

Reference yield:

1-acetyl-2,3-indoline-2-carboxylic acid (82950-72-9) → (S)-2,3-dihydro-1H-indole-2-carboxylic acid ethyl ester (82923-81-7)

Guidance literature:

In hydrogenchloride; ethanol;

Reference yield:

→ (S)-2,3-dihydro-1H-indole-2-carboxylic acid ethyl ester (82923-81-7)

Guidance literature:

upstream raw materials:

ethanol

(S)-indoline-2-carboxylic acid

1-acetyl-2,3-indoline-2-carboxylic acid

Downstream raw materials:

ethyl 1-<3-(benzoylthio)-2(S)-methylpropionyl>indoline-2(S)-carboxylate

(S)-1-[(S)-3-Benzyloxycarbonyl-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionyl]-2,3-dihydro-1H-indole-2-carboxylic acid ethyl ester

(S)-2-({(S)-1-[(S)-2-((R)-2-tert-Butoxycarbonylamino-3-tritylsulfanyl-propionylamino)-3-methyl-butyryl]-2,3-dihydro-1H-indole-2-carbonyl}-amino)-4-methylsulfanyl-butyric acid tert-butyl ester

(2S,3aS,7aS)-1-((R)-3-Phenyl-4,5-dihydro-isoxazole-5-carbonyl)-octahydro-indole-2-carboxylic acid ethyl ester