6-Nitropiperonyl alcohol

Base Information

• Chemical Name: 6-Nitropiperonyl alcohol
• CAS No.: 15341-08-9
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.147
• Hs Code.: 29329990
• European Community (EC) Number: 239-376-8
• Nikkaji Number: J218.404D
• Wikidata: Q106902823
• Mol file: 15341-08-9.mol

Synonyms:6-Nitropiperonyl alcohol;15341-08-9;(6-Nitrobenzo[d][1,3]dioxol-5-yl)methanol;(6-Nitro-1,3-benzodioxol-5-yl)methanol;6-Nitro-3,4-methylenedioxybenzyl alcohol;(5-nitro-2H-1,3-benzodioxol-4-yl)methanol;SCHEMBL669313;MFCD00005825;6-Nitro-1,3-benzodioxole-5-methanol;AKOS024306982;1,3-Benzodioxole-5-methanol,6-nitro-;1,3-Benzodioxole-5-methanol, 6-nitro-;4,5-methylenedioxy-2-nitrobenzyl alcohol;(6-Nitro-1,3-benzodioxol-5-yl)methanol #;CS-0334012;FT-0621277;FT-0621278;A809422;J-009009

Chemical Property of 6-Nitropiperonyl alcohol

Chemical Property:

• Appearance/Colour: yellow powder
• Vapor Pressure: 6.43E-06mmHg at 25°C
• Melting Point: 121-125 °C
• Refractive Index: 1.638
• Boiling Point: 363.4 °C at 760 mmHg
• PKA: 13.65±0.10(Predicted)
• Flash Point: 173.6 °C
• PSA: 84.51000
• Density: 1.561 g/cm³
• LogP: 1.33900
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Sensitive.: Light Sensitive
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 197.03242232
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

6-NitropiperonylAlcohol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)CO)[N+](=O)[O-]
• Uses: 6-Nitropiperonyl alcohol is used as an organic chemical synthesis intermediate. It is also used as a biochemical for proteomics research.

Technology Process of 6-Nitropiperonyl alcohol

There total 9 articles about 6-Nitropiperonyl alcohol 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%

6-nitro-1,3-benzodioxole-5-carbaldehyde (712-97-0) → (6-nitrobenzo[d][1,3]dioxol-5-yl)methanol (15341-08-9)

Guidance literature:

With sodium tetrahydroborate; zinc phthalocyanine; In PEG-400; at 20 ℃; for 1.5h;

DOI:10.1039/c2gc35452g

Reference yield: 60.0%

piperonol (495-76-1) → (6-nitrobenzo[d][1,3]dioxol-5-yl)methanol (15341-08-9)

Guidance literature:

With nitric acid; acetic acid; at -10 - 0 ℃; for 0.25h; Inert atmosphere;

DOI:10.1002/chem.201202773

Reference yield: 33.0%

6-nitro-1,3-benzodioxole-5-carbaldehyde (712-97-0) → (6-nitrobenzo[d][1,3]dioxol-5-yl)methanol (15341-08-9) + 6-amino-benzo[1,3]dioxole-5-carbaldehyde (23126-68-3)

Guidance literature:

With chlorobis(cyclooctene)rhodium(I) dimer; In N,N-dimethyl-formamide; at 120 ℃; for 24h; pH=2.25; Inert atmosphere;

DOI:10.1002/cctc.201900087

upstream raw materials:

piperonol

6-nitro-1,3-benzodioxole-5-carbaldehyde

Downstream raw materials:

5-acetoxymethyl-6-nitro-benzo[1,3]dioxole

6-phenyl-[1,3]dioxolo[4,5-g]quinazoline

Refernces

• 1、 Tietze, Lutz F.,Müller, Michael,Duefert, Svenia-C.,Schmuck, Kianga,Schuberth, Ingrid. "Photoactivatable prodrugs of highly potent duocarmycin analogues for a selective cancer therapy". . p. 1726 - 1731. Retrieved 2013.
• 2、 Tan, Fang-Fang,Tang, Kai-Li,Zhang, Ping,Guo, Yan-Jun,Qu, Mengnan,Li, Yang. "Utilization of a Hydrogen Source from Renewable Lignocellulosic Biomass for Hydrogenation of Nitroarenes". . p. 4189 - 4195. Retrieved 2019/03/07.