5-Nitro-2,3-dihydro-1H-inden-2-amine sulfate

Base Information

• Chemical Name: 5-Nitro-2,3-dihydro-1H-inden-2-amine sulfate
• CAS No.: 370861-62-4
• Molecular Formula: C₉H₁₀N₂O₂*H₂O₄S
• Molecular Weight: 276.27
• Hs Code.: 2921499090
• Mol file: 370861-62-4.mol

Synonyms:370861-62-4;5-Nitro-2,3-dihydro-1H-inden-2-amine sulfate;5-Nitro-indan-2-ylamine hydrogen sulfate;5-nitro-2,3-dihydro-1H-inden-2-amine;sulfuric acid;5-nitroindan-2-amine sulfate;C9H12N2O6S;SCHEMBL1950566;2-amino-5-nitro-indane sulfate;SOBXCLYFSXIEPJ-UHFFFAOYSA-N;SB36873

Chemical Property of 5-Nitro-2,3-dihydro-1H-inden-2-amine sulfate

Chemical Property:

• PSA: 154.82000
• LogP: 2.67220
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 276.04160728
• Heavy Atom Count: 18
• Complexity: 296

Purity/Quality:

≥95% ^*data from raw suppliers

5-Nitro-2,3-dihydro-1H-inden-2-aminesulfate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Nitro-2,3-dihydro-1H-inden-2-amine sulfate

There total 2 articles about 5-Nitro-2,3-dihydro-1H-inden-2-amine sulfate 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: 90.0%

2-aminoindane hydrochloride (2338-18-3) → (+/-)-5-nitro-2-aminoindan hydrogen sulfate salt (370861-62-4)

Guidance literature:

With sulfuric acid; nitric acid; In trifluoroacetic acid; at 0 - 20 ℃;

DOI:10.1021/jo0609881

Reference yield:

2,3-dihydro-1H-inden-2-amine (2975-41-9) → (+/-)-4-nitro-2-aminoindan + (+/-)-5-nitro-2-aminoindan hydrogen sulfate salt (370861-62-4)

Guidance literature:

With sulfuric acid; nitric acid; In acetic anhydride; acetic acid; at -5 - 5 ℃; for 2.5h;

DOI:10.1002/1615-4169(200107)343:5<461::AID-ADSC461>3.0.CO;2-#

Reference yield:

(+/-)-5-nitro-2-aminoindan hydrogen sulfate salt (370861-62-4) → (R)-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamic acid methyl ester (256397-63-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Na₂CO₃ / methyl acetate; H₂O / 20 - 25 °C

1.2: 97.8 percent / methyl acetate; H₂O / 1 h / 20 - 25 °C

2.1: H₂ / Pd/C (5 percent) / methanol / 3750.3 Torr

2.2: (+)-di-p-toluoyl-D-tartaric acid / methanol / 5 h / 22 - 25 °C

2.3: 6.95 g / aq. Na₂CO₃ / methyl acetate / 0.5 h / 20 - 25 °C

With hydrogen; sodium carbonate; palladium on activated charcoal; In methanol; acetic acid methyl ester; water; 1.2: modified Schotten-Baumann reaction;

DOI:10.1002/1615-4169(200107)343:5<461::AID-ADSC461>3.0.CO;2-#

upstream raw materials:

2,3-dihydro-1H-inden-2-amine

2-aminoindane hydrochloride

Downstream raw materials:

(R)-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamic acid methyl ester