p-Methylbenzaldoxime

Base Information

• Chemical Name: p-Methylbenzaldoxime
• CAS No.: 3717-15-5
• Molecular Formula: C8H9NO
• Molecular Weight: 135.166
• Hs Code.: 2928000090
• UNII: DU8KEY88LC
• DSSTox Substance ID: DTXSID80879433
• Nikkaji Number: J141.184E,J108.702I
• Mol file: 3717-15-5.mol

Synonyms:p-Methylbenzaldoxime;(E)-4-Methylbenzaldehyde oxime;(NZ)-N-[(4-methylphenyl)methylidene]hydroxylamine;4-METHYLBENZALDEHYDE OXIME (E);p-Tolualdehyde, oxime, (Z)-;syn-p-Tolualdoxime;Benzaldehyde, 4-methyl-, oxime, (Z)-;anti-p-Tolualdoxime;p-Methyl-anti-benzaloxime;p-Tolualdehyde, oxime, (E)-;SCHEMBL2161965;4-Methylbenzaldehyde oxime, cis;4-METHYLBENZALDEHYDEOXIME;DTXSID80879433;SRNDYVBEUZSFEZ-TWGQIWQCSA-N;AC8737;Benzaldehyde, 4-methyl-, oxime, (E)-

Chemical Property of p-Methylbenzaldoxime

Chemical Property:

• Vapor Pressure: 0.0804mmHg at 25°C
• Melting Point: 78 °C
• Boiling Point: 216.8°Cat760mmHg
• PKA: 10.83±0.10(Predicted)
• Flash Point: 116.4°C
• PSA: 32.59000
• Density: 1.01g/cm³
• LogP: 1.80310
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C=NO
• Isomeric SMILES: CC1=CC=C(C=C1)/C=N\O

Technology Process of p-Methylbenzaldoxime

There total 33 articles about p-Methylbenzaldoxime 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: 100.0%

4-methyl-benzaldehyde (104-87-0) → p-methylbenzaldehyde oxime (3235-02-7,3717-15-5,3717-16-6,140461-26-3,140461-27-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; at 20 ℃;

DOI:10.1039/c2ob26699g

Reference yield: 98.0%

4-methyl-benzaldehyde (104-87-0) → p-methylbenzaldehyde oxime (3717-15-5)

Guidance literature:

With 3 A molecular sieve; hydroxylamine hydrochloride; at 20 ℃; for 0.25h;

Reference yield: 93.0%

4-Methylbenzyl alcohol (589-18-4) → p-methylbenzaldehyde oxime (3235-02-7,3717-15-5,3717-16-6,140461-26-3,140461-27-4)

Guidance literature:

4-Methylbenzyl alcohol; With dihydrogen peroxide; at 20 ℃; for 0.166667h; Green chemistry;

With hydroxylamine hydrochloride; for 4h; Catalytic behavior; Green chemistry;

DOI:10.1016/j.molstruc.2019.03.008

upstream raw materials:

piperidine

4-Methyl-benzaldehyde O-(2,4-dinitro-phenyl)-oxime

2-(4-methylphenyl)-1,3-dioxolane

N-methyl-4-tolylnitrone

Downstream raw materials:

N-hydroxy-4-methylbenzenecarboximidoyl chloride

5-(bromomethyl)-3-(p-tolyl)isoxazole

N-(p-methylbenzyl)hydroxylamine

(5R,7S,8R,9R,10S)-8,9,10-Tris(benzyloxy)-7-methoxy-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene

Refernces

• 1、 Padmanaban, Sudakar,Choi, Jonghoon,Vazquez-Lima, Hugo,Ko, Donghwi,Yoo, Dagyum,Gwak, Jinseong,Cho, Kyung-Bin,Lee, Yunho. "Nickel-Catalyzed NO Group Transfer Coupled with NOxConversion". supporting information. p. 4585 - 4593. Retrieved 2022/03/02.
• 2、 Abolhasani, Hoda,Zarghi, Afshin,Komeili Movahhed, Tahereh,Abolhasani, Ahmad,Daraei, Bahram,Dastmalchi, Siavoush. "Design, synthesis and biological evaluation of novel indanone containing spiroisoxazoline derivatives with selective COX-2 inhibition as anticancer agents". . . Retrieved 2021/01/25.