Aida

Base Information

• Chemical Name: Aida
• CAS No.: 168560-79-0
• Molecular Formula: C₁₁H₁₁NO₄
• Molecular Weight: 221.213
• Hs Code.: 29224985
• DSSTox Substance ID: DTXSID60870100
• Nikkaji Number: J838.858J
• Wikidata: Q471666
• Pharos Ligand ID: XV7J8ZDQPK83
• ChEMBL ID: CHEMBL313938
• Mol file: 168560-79-0.mol

Synonyms:(RS)-aminoindan-1,5-dicarboxylic Acid;1-AI-1,5-DCA;1-aminoindan-1,5-dicarboxylic acid;AIDA compound

Chemical Property of Aida

Chemical Property:

• Appearance/Colour: White to off-white powder
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 470.4 °C at 760 mmHg
• Flash Point: 238.3 °C
• PSA: 100.62000
• Density: 1.481 g/cm³
• LogP: 1.26990
• Storage Temp.: 0-6°C
• Solubility.: DMSO: 2 mg/mL
• XLogP3: -2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 221.06880783
• Heavy Atom Count: 16
• Complexity: 330

Purity/Quality:

97% ^*data from raw suppliers

AIDA ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C2=C1C=C(C=C2)C(=O)O)(C(=O)O)N
• Recent ClinicalTrials: Treatment of Acute Promyelocytic Leukemia With All-Trans Retinoic Acid (ATRA) and Idarubicin (AIDA)
• Uses: AIDA is a potent and selective group I mGluR agonist.

Technology Process of Aida

There total 25 articles about Aida 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: 78.0%

(S)-1-(methoxycarbonylamino)indan-1,5-dicarboxylic acid dimethyl ester (473930-90-4) → (S)-1-aminoindan-1,5-dicarboxylic acid (168560-79-0)

Guidance literature:

(S)-1-(methoxycarbonylamino)indan-1,5-dicarboxylic acid dimethyl ester; With hydrogenchloride; In water; at 130 ℃; for 24h;

With methyloxirane; In ethanol; at 60 ℃; for 0.5h;

DOI:10.1016/S0957-4166(02)00224-0

Reference yield: 71.0%

2',4'-dioxoindan-1-spiro-5'-imidazolidine-5-carboxylic acid → 1-aminoindan-1,5-dicarboxylic acid (168560-79-0)

Guidance literature:

With ammonium carbonate; barium dihydroxide; In water; Heating;

DOI:10.1023/A:1022515613414

Reference yield: 43.0%

C13H12N2O4 (168560-81-4) → 1-aminoindan-1,5-dicarboxylic acid (168560-79-0)

Guidance literature:

With barium dihydroxide; at 120 ℃; for 3h;

DOI:10.1021/jm00019a002

upstream raw materials:

C₁₃H₁₂N₂O₄

indan-5-carboxylic acid

methyl 5-indanecarboxylate

methyl 2,3-dihydro-1-oxo-1H-indene-5-carboxylate