1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

Base Information

• Chemical Name: 1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime
• CAS No.: 110035-28-4
• Molecular Formula: C12H13N3O2
• Molecular Weight: 231.254
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID70350564
• Mol file: 110035-28-4.mol

Synonyms:110035-28-4;1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime;SCHEMBL9262044;DTXSID70350564;AKGVMZJNWXUJBJ-UHFFFAOYSA-N;N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylidene]hydroxylamine;1,3-dimethyl-5-phenoxypyrazole-4-carbaldehyde oxime;N-[(1,3-Dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylidene]hydroxylamine

Chemical Property of 1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

Chemical Property:

• Melting Point: 133-134 °C
• Boiling Point: 359.4 °C at 760 mmHg
• PKA: 10.45±0.10(Predicted)
• Flash Point: 171.2 °C
• PSA: 57.42000
• Density: 1.21 g/cm³
• LogP: 0.91650
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 231.100776666
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

99%, ^*data from raw suppliers

1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehydeoxime 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1C=NO)OC2=CC=CC=C2)C

Technology Process of 1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

There total 4 articles about 1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde 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:

1,3-dimethyl-5-phenoxypyrazole-4-carbaldehyde (109925-10-2) → 1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime (110035-28-4)

Guidance literature:

With hydroxylamine hydrochloride; potassium hydroxide; In methanol;

DOI:10.1016/j.cclet.2014.06.011

Reference yield:

5-chloro-4-formyl-1,3-dimethylpyrazole (27006-76-4) → 1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime (110035-28-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / N,N-dimethyl-formamide / 40 - 110 °C

2: potassium hydroxide; hydroxylamine hydrochloride / methanol

With hydroxylamine hydrochloride; potassium hydroxide; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/j.cclet.2014.06.011

Reference yield:

phenol (108-95-2,27073-41-2) → 1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime (110035-28-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / N,N-dimethyl-formamide / 40 - 110 °C

2: potassium hydroxide; hydroxylamine hydrochloride / methanol

With hydroxylamine hydrochloride; potassium hydroxide; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/j.cclet.2014.06.011

upstream raw materials:

5-chloro-4-formyl-1,3-dimethylpyrazole

phenol

1,3-dimethyl-5-phenoxypyrazole-4-carbaldehyde

1,3-dimethyl-5-pyrazolone

Downstream raw materials:

1,3-dimethyl-5-phenoxypyrazol-4-carboaldoxime O-2-fluoro-6,6-dimethylhept-2-ene-4-ynyl ether

1,3-dimethyl-5-phenoxypyrazol-4-carboaldoxime O-6,6-dimethylhept-2-ene-4-ynyl ether

C₂₃H₂₁ClN₄O₃S

Refernces

• 1、 Dai, Hong,Chen, Jia,Li, Hong,Dai, Baojiang,He, Haibing,Fang, Yuan,Shi, Yujun. "Synthesis and bioactivities of novel pyrazole oxime derivatives containing a 5-trifluoromethylpyridyl moiety". . . Retrieved 2016/04/20.
• 2、 Dai, Hong,Xiao, Yan-Shuang,Li, Zhong,Xu, Xiao-Yong,Qian, Xu-Hong. "The thiazoylmethoxy modification on pyrazole oximes: Synthesis and insecticidal biological evaluation beyond acaricidal activity". . p. 1014 - 1016. Retrieved 2014/08/18.