4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid

Base Information

• Chemical Name: 4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid
• CAS No.: 209225-00-3
• Molecular Formula: C10H9 N O4
• Molecular Weight: 207.186
• DSSTox Substance ID: DTXSID10594985
• Mol file: 209225-00-3.mol

Synonyms:209225-00-3;4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid;4-Nitro-2-indanecarboxylic acid;1H-Indene-2-carboxylic acid, 2,3-dihydro-4-nitro-;SCHEMBL1080845;4-Nitroindan-2-carboxylic acid;SCHEMBL14017372;DTXSID10594985;DBDFIUAOEDQFQG-UHFFFAOYSA-N;1H-Indene-2-carboxylicacid,2,3-dihydro-4-nitro-(9CI)

Chemical Property of 4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid

Chemical Property:

• Melting Point: 151-153 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
• Boiling Point: 411.8±45.0 °C(Predicted)
• PKA: 4.19±0.20(Predicted)
• PSA: 83.12000
• Density: 1.452
• LogP: 1.91740
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 207.05315777
• Heavy Atom Count: 15
• Complexity: 286

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC2=C1C=CC=C2[N+](=O)[O-])C(=O)O

Technology Process of 4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid

There total 7 articles about 4-nitro-2,3-dihydro-1H-indene-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: 88.0%

2-indancarboxylic acid (25177-85-9) → 4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid (209225-00-3)

Guidance literature:

With nitric acid; trifluoroacetic acid; at 0 ℃; for 2.5h;

Reference yield: 51.0%

dimethyl 4-nitro-1,3-dihydro-2H-indene-2,2-dicarboxylate (888327-26-2) → 4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid (209225-00-3)

Guidance literature:

dimethyl 4-nitro-1,3-dihydro-2H-indene-2,2-dicarboxylate; With water; sodium hydroxide; In 1,4-dioxane; at 50 ℃; for 2h;

With hydrogenchloride; In 1,4-dioxane; water; pH=1; Reflux;

Reference yield:

2-indancarboxylic acid (25177-85-9) → 4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid (209225-00-3) + 5-nitroindane-2-carboxylic acid (209225-01-4)

Guidance literature:

With nitric acid; trifluoroacetic acid; In water; at 0 ℃; for 5.16667h;

DOI:10.1021/jm800967h

upstream raw materials:

2-indancarboxylic acid

dimethyl 4-nitro-1,3-dihydro-2H-indene-2,2-dicarboxylate

1,2-bis(bromomethyl)-3-nitrobenzene

1H-indene-2-carbonitrile, 2,3-dihydro-

Downstream raw materials:

4-nitro-N-(4-morpholinophenyl)indan-2-carboxamide

rac-methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate

methyl 4-({[4-(bromomethyl)phenyl](cyclopentyl)acetyl}amino)-2,3-dihydro-1H-indene-2-carboxylate

Methyl 4-{[cyclopentyl(4-{[2-(2-methylpropyl)-5-oxo-5,6-dihydro-4H-1,3,4-oxadiazin-4-yl]-methyl}phenyl)acetyl]amino}-2,3-dihydro-1H-indene-2-carboxylate

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