2-(2-Nitropropoxy)oxane

Base Information

• Chemical Name: 2-(2-Nitropropoxy)oxane
• CAS No.: 97945-38-5
• Molecular Formula: C8H15NO4
• Molecular Weight: 189.211
• DSSTox Substance ID: DTXSID50546529
• Mol file: 97945-38-5.mol

Synonyms:2-(2-Nitropropoxy)oxane;97945-38-5;Tetrahydro-2-(2-nitropropoxy)-2H-pyran;2H-Pyran, tetrahydro-2-(2-nitropropoxy)-;DTXSID50546529;AKOS030255351

Chemical Property of 2-(2-Nitropropoxy)oxane

Chemical Property:

• PSA: 64.28000
• LogP: 1.71800
• Solubility.: Dichloromethane, Ethyl Acetate
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 189.10010796
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

Tetrahydro-2-(2-nitropropoxy)-2H-pyran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COC1CCCCO1)[N+](=O)[O-]
• Uses: Tetrahydro-2-(2-nitropropoxy)-2H-pyran (cas# 97945-38-5) is a compound useful in organic synthesis.

Technology Process of 2-(2-Nitropropoxy)oxane

There total 6 articles about 2-(2-Nitropropoxy)oxane 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: 83.66%

3,4-dihydro-2H-pyran (110-87-2) + 2-NITROPROPANOL (2902-96-7) → 2-nitropropanol tetrahydro-2H-pyran-2-yl ether (97945-38-5)

Guidance literature:

With hydrogenchloride; In dichloromethane; water; at 20 ℃; for 21h;

DOI:10.1080/10715762.2019.1683171

Reference yield: 41.0%

Cytosine (71-30-7) + 2-(2-Chloro-2-nitro-propoxy)-tetrahydro-pyran (86958-48-7) → 2-nitropropanol tetrahydro-2H-pyran-2-yl ether (97945-38-5) + <2-nitro-1-(2-oxytetrahydropyranyl)-propan-2-yl>cytosine

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; for 4h; Irradiation;

DOI:10.1080/15257779408011887

Reference yield: 36.0%

Cytosine (71-30-7) + 2-(2-Bromo-2-nitro-propoxy)-tetrahydro-pyran (109178-34-9) → 2-nitropropanol tetrahydro-2H-pyran-2-yl ether (97945-38-5) + C16H28N2O8 (86958-61-4,126254-52-2,126254-53-3) + <2-nitro-1-(2-oxytetrahydropyranyl)-propan-2-yl>cytosine

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 1.25h; Irradiation;

DOI:10.1080/15257779408011887

upstream raw materials:

3,4-dihydro-2H-pyran

2-NITROPROPANOL

Cytosine

2-(2-Chloro-2-nitro-propoxy)-tetrahydro-pyran

Downstream raw materials:

2-[(E)-2-Methyl-3-(4-nitro-phenyl)-allyloxy]-tetrahydro-pyran

2-[2-Methyl-2-nitro-3-(4-nitro-phenyl)-propoxy]-tetrahydro-pyran

1-nitro-1-(4-nitrophenyl)ethane

(4-nitrophenyl)ethanone

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