Methyl n-butyl ketone oxime

Base Information

• Chemical Name: Methyl n-butyl ketone oxime
• CAS No.: 5577-48-0
• Molecular Formula: C₆H₁₃NO
• Molecular Weight: 115.175
• Hs Code.: 2928000090
• NSC Number: 73136
• Nikkaji Number: J3.012.063I,J97.908B
• Mol file: 5577-48-0.mol

Synonyms:2-HEXANONE OXIME;Methyl n-butyl ketone oxime;2-Hexanone, oxime;(E)-2-Hexanone oxime;SCHEMBL8431614;WHXCGIRATPOBAY-SREVYHEPSA-N;NSC73136;NSC-73136

Chemical Property of Methyl n-butyl ketone oxime

Chemical Property:

• Vapor Pressure: 0.282mmHg at 25°C
• Refractive Index: 1.435
• Boiling Point: 187.5 °C at 760 mmHg
• Flash Point: 94 °C
• PSA: 32.59000
• Density: 0.89 g/cm³
• LogP: 2.02670
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 78.6

Purity/Quality:

99%, ^*data from raw suppliers

2-HEXANONE OXIME 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=NO)C
• Isomeric SMILES: CCCC/C(=N\O)/C

Technology Process of Methyl n-butyl ketone oxime

There total 5 articles about Methyl n-butyl ketone 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:

hexane (110-54-3) → 2-chlorohexane (638-28-8) + Hexan-2-on-oxim (5577-48-0,97421-49-3,97421-52-8) + propyl ethyl ketoxime (28364-56-9) + 1-Chlorohexane (544-10-5)

Guidance literature:

With hydrogenchloride; nitrosylchloride; at 20 ℃; for 9h; Further byproducts given; Irradiation;

Reference yield:

n-hexan-2-one (591-78-6) → Hexan-2-on-oxim (5577-48-0,97421-49-3,97421-52-8)

Guidance literature:

With sodium hydroxide; hydroxylamine;

DOI:10.1039/tf9595501689

Reference yield:

hexane (110-54-3) → Hexan-2-on-oxim (5577-48-0,97421-49-3,97421-52-8) + propyl ethyl ketoxime (28364-56-9)

Guidance literature:

With nitrosylchloride; im Sonnenlicht unter Ausschluss von Sauerstoff;

DOI:10.1039/jr9360001005

upstream raw materials:

hexane

n-hexan-2-one

Downstream raw materials:

4-n-butyl-2-phenyl-1H-pyrrole

n-hexan-2-one

(S)-hexan-2-amine

(R)‐2‐aminohexane

Refernces

• 1、 Gu, Yu-Rui,Duan, Xin-Hua,Chen, Li,Ma, Zhi-Yong,Gao, Pin,Guo, Li-Na. "Iminyl Radical-Triggered Intermolecular Distal C(sp3)-H Heteroarylation via 1,5-Hydrogen-Atom Transfer (HAT) Cascade". supporting information. p. 917 - 920. Retrieved 2019/02/14.