4-Isopropoxy-3-methoxybenzaldehyde oxime

Base Information

• Chemical Name: 4-Isopropoxy-3-methoxybenzaldehyde oxime
• CAS No.: 98799-36-1
• Molecular Formula: C11H15 N O3
• Molecular Weight: 209.245
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID90425980
• Mol file: 98799-36-1.mol

Synonyms:4-isopropoxy-3-methoxybenzaldehyde oxime;98799-36-1;N-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}hydroxylamine;(NE)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]hydroxylamine;SBB028849;DTXSID90425980;YDA79936;STL068913;AKOS000304687;4-isopropoxy-3-methoxybenzaldehydeoxime;NCGC00328349-01;CS-0220451;EN300-06692;AB01324039-02;SR-01000045350;SR-01000045350-1;Z49568966;(E)-N-hydroxy-1-[3-methoxy-4-(propan-2-yloxy)phenyl]methanimine

Chemical Property of 4-Isopropoxy-3-methoxybenzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.000316mmHg at 25°C
• Boiling Point: 307.4°Cat760mmHg
• Flash Point: 139.7°C
• PSA: 51.05000
• Density: 1.08g/cm³
• LogP: 2.29050
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

98%Min ^*data from raw suppliers

4-isopropoxy-3-methoxybenzaldehydeoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC1=C(C=C(C=C1)C=NO)OC
• Isomeric SMILES: CC(C)OC1=C(C=C(C=C1)/C=N/O)OC

Technology Process of 4-Isopropoxy-3-methoxybenzaldehyde oxime

There total 4 articles about 4-Isopropoxy-3-methoxybenzaldehyde 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: 98.0%

4-isopropyloxy-3-methoxybenzaldehyde (2538-98-9) → 3-methoxy-4-isopropoxybenzoxime (98799-36-1)

Guidance literature:

With hydroxylamine hydrochloride;

DOI:10.1021/jo00224a057

Reference yield: 74.0%

4-isopropyloxy-3-methoxybenzaldehyde (2538-98-9) → 4-isopropoxy-3-methoxybenzaldehyde oxime (98799-36-1)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol; at 20 ℃; for 1.5h;

DOI:10.1016/j.bmc.2011.06.056

Reference yield:

vanillin (121-33-5,8014-42-4) → 4-isopropoxy-3-methoxybenzaldehyde oxime (98799-36-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere

1.2: 4 h / Inert atmosphere; Reflux

2.1: pyridine; hydroxylamine hydrochloride / ethanol / 1.5 h / 20 °C

With pyridine; hydroxylamine hydrochloride; potassium carbonate; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2011.06.056

upstream raw materials:

4-isopropyloxy-3-methoxybenzaldehyde

vanillin

Downstream raw materials:

4-isopropoxy-3-methoxyphenylmethanamine hydrochloride

N-(4-isopropoxy-3-methoxybenzyl)-4-isopropoxy-3-methoxybenzamide

(4-isopropoxy-3-methoxybenzoyl)(4-isopropoxy-3-methoxybenzyl)carbamic acid tert-butyl ester

(4-isopropoxy-3-methoxyphenyl)methanamine

Refernces

• 1、 Musatov,Starodubtseva,Turova,Kurilov,Vinogradov,Rakishev,Struchkova. "Comparison of different reducing systems in the synthesis of functionally substituted benzylamines from alkyl aryl ketones and aromatic aldehydes". experimental part. p. 1021 - 1028. Retrieved 2010/11/03.