N-isopropylhydroxylamine

Base Information

• Chemical Name: N-isopropylhydroxylamine
• CAS No.: 5080-22-8
• Molecular Formula: C3H9NO
• Molecular Weight: 75.1106
• Hs Code.: 2928000090
• European Community (EC) Number: 225-791-1
• UNII: 3NT440V34T
• DSSTox Substance ID: DTXSID6063694
• Nikkaji Number: J203.284H
• Wikidata: Q27257766
• ChEMBL ID: CHEMBL140282
• Mol file: 5080-22-8.mol

Synonyms:2-hydroxylaminopropane;2-hydroxylaminopropane sulfate (2:1)

Chemical Property of N-isopropylhydroxylamine

Chemical Property:

• Vapor Pressure: 16.5mmHg at 25°C
• Melting Point: 159-160 °C (dec.)
• Boiling Point: 104.9 °C at 760 mmHg
• PKA: 14.14±0.50(Predicted)
• Flash Point: 44.5 °C
• PSA: 32.26000
• Density: 0.886 g/cm³
• LogP: 0.76450
• Water Solubility.: 199g/L at 25℃
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 75.068413911
• Heavy Atom Count: 5
• Complexity: 20.9

Purity/Quality:

99% ^*data from raw suppliers

N-Hydroxypropan-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 21/22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NO
• Uses: N-Isopropylhydroxylamine is used in preparation method of Methylstyrene Butadiene rubber.

Technology Process of N-isopropylhydroxylamine

There total 10 articles about N-isopropylhydroxylamine 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: 96.0%

2-Isopropyl-3-methyl-5-oxo-2,5-dihydro-isoxazole-4-carboxylic acid ethyl ester (113768-49-3) → N-isopropylhydroxyamine (5080-22-8)

Guidance literature:

With hydrogenchloride; acetic acid; In water;

DOI:10.1016/S0040-4039(00)96265-8

Reference yield: 88.0%

2-nitropropane (79-46-9) → isopropylamine (75-31-0) + N-isopropylhydroxyamine (5080-22-8)

Guidance literature:

With hydrogen; In para-xylene; isopropyl alcohol; at 25 ℃; for 4h; under 760.051 Torr;

Reference yield: 85.0%

2-nitropropane (79-46-9) → N-isopropylhydroxyamine (5080-22-8)

Guidance literature:

With ammonia borane; gold on titanium oxide; In ethanol; at 20 ℃; for 0.666667h; Inert atmosphere;

DOI:10.1002/adsc.201200983

upstream raw materials:

2-nitropropane

2-Isopropyl-3-methyl-5-oxo-2,5-dihydro-isoxazole-4-carboxylic acid ethyl ester

hydrogenchloride

ammonia

Downstream raw materials:

(1-Methylethyl)sulfamic Acid

N-m-nitrobenzyl-N-isopropylhydroxylamine

N-p-nitrobenzyl-N-isopropylhydroxylamine

N-isopropylthiobenzhydroxamic acid

Refernces

• 1、 Agarwal, Shilpa,Baroliya, Prabhat K.,Bhargava, Amit,Tripathi,Goswami. "Synthesis, characterization, theoretical prediction of activities and evaluation of biological activities of some sulfacetamide based hydroxytriazenes". . p. 2870 - 2873. Retrieved 2016.
• 2、 Baroliya, Prabhat K.,Chauhan, R. S.,Dayma, Varsha,Dwivedi, Aparna,Goswami, A. K.,Sharma, Poonam,Tripathi, I. P.,Vanangamudi, Murugesan. "Synthesis of sulpha drug based hydroxytriazene derivatives: Anti-diabetic, antioxidant, anti-inflammatory activity and their molecular docking studies". . . Retrieved 2020/02/15.