Nitrosopiperidinol

Base Information

• Chemical Name: Nitrosopiperidinol
• CAS No.: 55556-93-9
• Molecular Formula: C₅H₁₀N₂O₂
• Molecular Weight: 130.147
• European Community (EC) Number: 869-544-1
• UNII: 18ZR821Q00
• DSSTox Substance ID: DTXSID30204110
• Nikkaji Number: J8.583I
• Wikidata: Q27252051
• ChEMBL ID: CHEMBL167695
• Mol file: 55556-93-9.mol

Synonyms:4-hydroxy-N-nitrosopiperidine;N-nitroso-4-hydroxypiperidine

Chemical Property of Nitrosopiperidinol

Chemical Property:

• Vapor Pressure: 5.85E-05mmHg at 25°C
• Refractive Index: 1.4954 (estimate)
• Boiling Point: 309.3°C at 760 mmHg
• PKA: 14.38±0.20(Predicted)
• Flash Point: 140.8°C
• PSA: 52.90000
• Density: 1.37g/cm³
• LogP: 0.06240
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 130.074227566
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

N-NITROSO-4-HYDROXYPIPERIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: C1CN(CCC1O)N=O

Technology Process of Nitrosopiperidinol

There total 3 articles about Nitrosopiperidinol 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: 98.0%

4-HYDROXYPIPERIDINE (5382-16-1) → 4-hydroxy-N-nitrosopiperidine (55556-93-9)

Guidance literature:

With acetic acid; sodium nitrite; In water; at 0 - 20 ℃; for 5.83333h;

Reference yield: 1.0%

N-nitrosopiperidine (100-75-4) → 4-hydroxy-N-nitrosopiperidine (55556-93-9)

Guidance literature:

With iodosylbenzene; (5,10,15,20-tetraphenylporphyrinato)manganese(III) chloride; In benzene;

Reference yield:

N-nitrosopiperidine (100-75-4) → N-nitroso-4-piperidone (55556-91-7) + 4-hydroxy-N-nitrosopiperidine (55556-93-9) + N-nitroso-3-hydroxypiperidine (55556-85-9)

Guidance literature:

With iodosylbenzene; In benzene; for 3h; Product distribution; oxidation in the presence of various catalysators;

upstream raw materials:

N-nitrosopiperidine

4-HYDROXYPIPERIDINE

Downstream raw materials:

(R)-3-[4-(3-amino-benzo[d]isoxazol-6-yl)-2,6-dichloro-benzyl]-1-(4-triisopropylsilanyloxy-piperidin-1-yl)-pyrrolidin-2-one

(R)-3',5'-dichloro-3-fluoro-4'-[2-oxo-1-(4-triisopropylsilanyloxy-piperidin-1-yl)-pyrrolidin-3-ylmethyl]-biphenyl-4-carbonitrile

(R)-3-(3,5-dichloro-4'-trifluoromethyl-biphenyl-4-ylmethyl)-1-(4-triisopropylsilanyloxy-piperidin-1-yl)-pyrrolidin-2-one

(R)-4-{3,5-dichloro-4-[2-oxo-1-(4-triisopropylsilanyloxy-piperidin-1-yl)-pyrrolidin-3-ylmethyl]-phenoxy}-benzamide

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