Propionaldehyde oxime

Base Information

• Chemical Name: Propionaldehyde oxime
• CAS No.: 627-39-4
• Molecular Formula: C3H7NO
• Molecular Weight: 73.0947
• European Community (EC) Number: 622-906-0
• Nikkaji Number: J527.893G
• Wikidata: Q27464619
• Mol file: 627-39-4.mol

Synonyms:Propionaldehyde oxime;627-39-4;Propanal oxime;(NE)-N-propylidenehydroxylamine;(Z)-Propionaldehyde oxime;Propionaldoxime;Propanaldoxime;Propionaldehyde, oxime;(1z)-Propanal Oxime;(E)-propionaldoxime;IFDZZSXEPSSHNC-ONEGZZNKSA-N;MFCD00516618;CS-0239378;EN300-211414;Q27464619

Chemical Property of Propionaldehyde oxime

Chemical Property:

• Melting Point: 40°C
• Refractive Index: 1.4287
• Boiling Point: 128.95°C (rough estimate)
• PKA: 11.42±0.11(Predicted)
• PSA: 32.59000
• Density: 0.9258
• LogP: 0.85640
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 73.052763847
• Heavy Atom Count: 5
• Complexity: 33.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

Propionaldehyde oxime ≥96%, ≥96.0% (mixture of isomers) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1098365
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC=NO
• Isomeric SMILES: CC/C=N/O

Technology Process of Propionaldehyde oxime

There total 9 articles about Propionaldehyde oxime 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: 73.0%

propionaldehyde (123-38-6) → propionaldehyde oxime (627-39-4,5780-46-1)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In water; at 20 ℃; for 16h;

Reference yield:

1,1-dinitropropane (601-76-3) + water (7732-18-5) → propionaldehyde oxime (627-39-4,5780-46-1) + ammonia (7664-41-7) + potassium propionate (327-62-8)

Guidance literature:

at 105 - 110 ℃; das Kaliumsalz reagiert;

Reference yield:

1-Nitropropane (108-03-2) → propylamine (107-10-8,42939-71-9) + propionaldehyde oxime (627-39-4,5780-46-1)

Guidance literature:

With acetic acid; zinc;

DOI:10.1021/ja01266a062

upstream raw materials:

propionaldehyde

1-Nitropropane

propylamine

butyric nitrous anhydride

Downstream raw materials:

2-benzylpropionaldehyde

(3-ethyl-isoxazol-5-ylmethyl)-triphenyl-phosphonium; bromide

N,N-diisopropyl-1,1,1-trimethylsilylamine

C₉H₂₃NOSi₂

Refernces

• 1、 -. "NOVEL COMPOUNDS". Page/Page column 23. . Retrieved 2019/03/05.
• 2、 Lei, Xiaoqiang,Li, Longbo,He, Yu-Peng,Tang, Yefeng. "Rhodium(II)-Catalyzed Formal [3 + 2] Cycloaddition of N-Sulfonyl-1,2,3-triazoles with Isoxazoles: Entry to Polysubstituted 3-Aminopyrroles". supporting information. p. 5224 - 5227. Retrieved 2015/11/18.