2-Hydroxy-5-nitroindane

Base Information

• Chemical Name: 2-Hydroxy-5-nitroindane
• CAS No.: 16513-67-0
• Molecular Formula: C₉H₉NO₃
• Molecular Weight: 179.175
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID10395035
• Mol file: 16513-67-0.mol

Synonyms:2-Hydroxy-5-nitroindane;16513-67-0;5-nitro-2,3-dihydro-1H-inden-2-ol;5-nitro-indan-2-ol;1H-Inden-2-ol, 2,3-dihydro-5-nitro-;SCHEMBL2728205;DTXSID10395035;VAPGHIYRAUSHOH-UHFFFAOYSA-N;MFCD04038637;AKOS006295140;SB84989;AM803295;AS-62275;CS-0038865;FT-0733733

Chemical Property of 2-Hydroxy-5-nitroindane

Chemical Property:

• Vapor Pressure: 3.66E-05mmHg at 25°C
• Refractive Index: 1.651
• Boiling Point: 339.1°C at 760 mmHg
• Flash Point: 152.5°C
• PSA: 66.05000
• Density: 1.406g/cm³
• LogP: 1.57750
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 179.058243149
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

95% ^*data from raw suppliers

2-Hydroxy-5-nitroindane ^*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-])O

Technology Process of 2-Hydroxy-5-nitroindane

There total 8 articles about 2-Hydroxy-5-nitroindane 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: 85.0%

5-nitro-1,3-dihydro-2H-inden-2-one (116530-60-0) → 5-nitro-2,3-dihydro-1H-inden-2-ol (16513-67-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃;

DOI:10.1021/acsmedchemlett.6b00356

Reference yield: 81.0%

2-acetoxy-5-nitroindane (16513-70-5) → 5-nitro-2,3-dihydro-1H-inden-2-ol (16513-67-0)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃; for 2h;

Reference yield: 33.0%

5-nitro-1H-indene (41734-55-8) → 5-nitro-2,3-dihydro-1H-inden-2-ol (16513-67-0)

Guidance literature:

5-nitro-1H-indene; With diborane; diethyl sulphide; In tetrahydrofuran; at 20 ℃; for 2h;

With dihydrogen peroxide; sodium hydroxide; at 20 ℃; for 1h;

DOI:10.3390/molecules22010032

upstream raw materials:

2-acetoxy-5-nitroindane

5-nitro-1H-indene

5-nitro-1,3-dihydro-2H-inden-2-one

6-nitroindan-1-one

Downstream raw materials:

C₂₀H₂₃N₃O₄S

5-nitro-1,3-dihydro-2H-inden-2-one