N-Hydroxypropionamidine

Base Information

• Chemical Name: N-Hydroxypropionamidine
• CAS No.: 29335-36-2
• Molecular Formula: C3H8 N2 O
• Molecular Weight: 88.1093
• Hs Code.: 2925290090
• European Community (EC) Number: 680-993-0
• DSSTox Substance ID: DTXSID90424857
• Mol file: 29335-36-2.mol

Synonyms:N-Hydroxypropionamidine;N'-hydroxypropanimidamide;29335-36-2;(1Z)-N'-hydroxypropanimidamide;849833-55-2;(Z)-N'-Hydroxypropionimidamide;propionamidoxime;1308256-75-8;N-Hydroxyproponmdamde;N-Hydroxypropanamidine;N'-Hydroxypropimidamide;N\'-hydroxypropanimidamide;DTXSID90424857;CS-D0340;MFCD07776159;STK351231;AKOS000137576;AKOS015901155;BP-21173;A5482;EN300-43922;N-hydroxypropionamidine;N-Hydroxypropionimidamide;J-523592;Z241067842

Chemical Property of N-Hydroxypropionamidine

Chemical Property:

• Vapor Pressure: 0.0608mmHg at 25°C
• Boiling Point: 205.1°Cat760mmHg
• PKA: 7.48±0.69(Predicted)
• Flash Point: 77.8°C
• PSA: 56.11000
• Density: 1.12g/cm³
• LogP: 0.84310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Hygroscopic
• Water Solubility.: Slightly soluble in water.
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 88.063662883
• Heavy Atom Count: 6
• Complexity: 59.8

Purity/Quality:

99% ^*data from raw suppliers

(E)-N''-hydroxypropionimidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 36/37/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=NO)N
• Isomeric SMILES: CC/C(=N/O)/N
• Uses: Propionamidoxime is used as pharmaceutical intermediate.

Technology Process of N-Hydroxypropionamidine

There total 5 articles about N-Hydroxypropionamidine 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: 91.0%

propiononitrile (107-12-0) → 1-hydroxyimino-1-propylamine (849833-55-2,29335-36-2,1217429-73-6)

Guidance literature:

With hydroxylamine; In ethanol; for 16h; Reflux;

Reference yield: 87.0%

propiononitrile (107-12-0) → N-hydroxy-propionamidine (849833-55-2,29335-36-2,1217429-73-6)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In ethanol; for 16h; Reflux;

DOI:10.1021/acs.jmedchem.8b01544

Reference yield: 81.0%

propiononitrile (107-12-0) → N-hydroxypropanimidamide (29335-36-2)

Guidance literature:

With hydroxyamino hydrochloride; potassium carbonate; In ethanol; water monomer; at 20 ℃; for 20h; Reflux;

upstream raw materials:

propiononitrile

2-methoxyacetonitrile

Downstream raw materials:

5-(5-Aminopentyl)-3-aethyl-1,2,4-oxadiazol

FG 8006

5-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-1-trityl-1,4,5,6-tetrahydro-pyrimidine

5-chloromethyl-3-ethyl-[1,2,4]oxadiazole

Refernces

• 1、 Borisevich, Sophia S.,Chernyshov, Vladimir V.,Esaulkova, Iana L.,Popadyuk, Irina I.,Salakhutdinov, Nariman F.,Sinegubova, Ekaterina,Yarovaya, Olga I.,Zarubaev, Vladimir V.. "Novel O-acylated amidoximes and substituted 1,2,4-oxadiazoles synthesised from (+)-ketopinic acid possessing potent virus-inhibiting activity against phylogenetically distinct influenza A viruses". . . Retrieved 2021/12/16.
• 2、 Le, Thuy G.,Kundu, Abhijit,Ghoshal, Atanu,Nguyen, Nghi H.,Preston, Sarah,Jiao, Yaqing,Ruan, Banfeng,Xue, Lian,Huang, Fei,Keiser, Jennifer,Hofmann, Andreas,Chang, Bill C. H.,Garcia-Bustos, Jose,Jabbar, Abdul,Wells, Timothy N. C.,Palmer, Michael J.,Gasser, Robin B.,Baell, Jonathan B.. "Optimization of Novel 1-Methyl-1 H-Pyrazole-5-carboxamides Leads to High Potency Larval Development Inhibitors of the Barber's Pole Worm". . p. 10875 - 10894. Retrieved 2019/01/04.