Benzaldehyde, 4-(1-methylethyl)-, oxime, (Z)- (9CI)

Base Information

• Chemical Name: Benzaldehyde, 4-(1-methylethyl)-, oxime, (Z)- (9CI)
• CAS No.: 3717-18-8
• Molecular Formula: C10H13 N O
• Molecular Weight: 163.219
• DSSTox Substance ID: DTXSID001253654
• Nikkaji Number: J213.884K
• Mol file: 3717-18-8.mol

Synonyms:Benzaldehyde,p-isopropyl-, oxime, (Z)- (8CI); p-Isopropyl-anti-benzaldoxime;syn-4-Isopropylbenzaldoxime

Chemical Property of Benzaldehyde, 4-(1-methylethyl)-, oxime, (Z)- (9CI)

Chemical Property:

• PSA: 32.59000
• LogP: 2.61810
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzaldehyde, 4-(1-methylethyl)-, oxime, (Z)- (9CI)

There total 8 articles about Benzaldehyde, 4-(1-methylethyl)-, oxime, (Z)- (9CI) 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-isopropylbenzaldehyde) (122-03-2) → 4-isopropylbenzaldehyde oxime (3717-17-7,3717-18-8,13372-80-0)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; Reflux;

DOI:10.1021/acs.orglett.5b03462

Reference yield: 85.0%

4-isopropylbenzylamine (4395-73-7) → 4-isopropylbenzaldehyde oxime (3717-17-7,3717-18-8,13372-80-0)

Guidance literature:

With Acetaldehyde oxime; oxygen; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione; In water; at 100 ℃; for 35h; Green chemistry;

DOI:10.1055/s-0033-1338646

Reference yield: 84.0%

(4-isopropylbenzaldehyde) (122-03-2) → p-Cyanocumen (13816-33-6) + 4-isopropylbenzaldehyde oxime (3717-17-7,3717-18-8,13372-80-0)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; acetylhydroxamic acid; In dichloromethane; for 24h; Reflux;

DOI:10.1016/j.tetlet.2012.04.057

upstream raw materials:

(4-isopropylbenzaldehyde)

4-isopropylphenylhydroximoyl chloride

4-isopropylbenzylamine

4-methylisopropylbenzene

Downstream raw materials:

p-Cyanocumen

p-isopropylbenzoic acid

(4-isopropylbenzaldehyde)

5-(4-isopropyl-phenyl)-tetrazol-1-ol