2,3-Dimethoxybenzaldoxime

Base Information

• Chemical Name: 2,3-Dimethoxybenzaldoxime
• CAS No.: 5470-95-1
• Molecular Formula: C9H11 N O3
• Molecular Weight: 181.191
• Hs Code.: 2928000090
• NSC Number: 27024
• Mol file: 5470-95-1.mol

Synonyms:2,3-Dimethoxybenzaldoxime;5470-95-1;o-Veratraldehyde, oxime;Benzaldehyde, 2,3-dimethoxy-, oxime;BRN 1953084;(NE)-N-[(2,3-dimethoxyphenyl)methylidene]hydroxylamine;AI3-03770;2,3-dimethoxybenzaldehyde oxime;2-08-00-00269 (Beilstein Handbook Reference);(Z)-2,3-Dimethoxybenzaldehyde oxime;N-[(2,3-dimethoxyphenyl)methylidene]hydroxylamine;NSC27024;SCHEMBL8695727;2,3-Dimethoxy-benzaldehyde oxime;(Z)-2,3-Dimethoxybenzaldehydeoxime;MFCD00033234;NSC 27024;NSC-27024;AKOS001082021;MS-8949;NCGC00329401-01;LS-162024;CS-0235444;EN300-15684;AB01323066-02;(E)-N-[(2,3-dimethoxyphenyl)methylidene]hydroxylamine;Z49568345

Chemical Property of 2,3-Dimethoxybenzaldoxime

Chemical Property:

• Vapor Pressure: 0.000802mmHg at 25°C
• Melting Point: 98-100°C
• Boiling Point: 293.1°Cat760mmHg
• Flash Point: 131.1°C
• PSA: 51.05000
• Density: 1.11g/cm³
• LogP: 1.51190
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dimethoxybenzaldoxime ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OC)C=NO
• Isomeric SMILES: COC1=CC=CC(=C1OC)/C=N/O

Technology Process of 2,3-Dimethoxybenzaldoxime

There total 5 articles about 2,3-Dimethoxybenzaldoxime 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: 81.0%

2,3-dimethyoxybenzaldehyde (86-51-1) → oxime of 2,3-dimethoxy-benzaldehyde (5470-95-1)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In water; at 80 ℃; for 2h;

Reference yield:

C-(2,3-dimethoxyphenyl)-N-benzyl-nitrone (868775-52-4,919112-38-2) → oxime of 2,3-dimethoxy-benzaldehyde (5470-95-1) + N-benzylhydroxylamine hydrochloride (29601-98-7)

Guidance literature:

With hydroxylamine hydrochloride; In methanol; diethyl ether; at 20 ℃; for 4h;

DOI:10.1080/00397910500191169

Reference yield:

Benzyl-(2,3-dimethoxy-benzyl)-amine (128349-14-4) → oxime of 2,3-dimethoxy-benzaldehyde (5470-95-1)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O₂; Na₂WO₄ / methanol / 1 h / 20 °C

2: hydroxylamine hydrochloride / methanol; diethyl ether / 4 h / 20 °C

With sodium tungstate; hydroxylamine hydrochloride; dihydrogen peroxide; In methanol; diethyl ether;

DOI:10.1080/00397910500191169

upstream raw materials:

2,3-dimethyoxybenzaldehyde

C-(2,3-dimethoxyphenyl)-N-benzyl-nitrone

Benzyl-(2,3-dimethoxy-benzyl)-amine

Downstream raw materials:

2,3-dimethoxybenzonitrile

2,3-dimethoxy-benzylamine; hydrochloride

C₂₇H₃₃ClN₄O₃*ClH

C₂₇H₃₄N₄O₃*ClH

Refernces

• 1、 -. "AN IMPROVED PROCESS FOR PREPARATION OF PURE ALDOXIME". Page/Page column 20. . Retrieved 2021/06/22.
• 2、 Asha Bhanu,China Raju,Jayavardhana Rao,Narasimha,Kesava Rao. "Facile synthesis and docking studies of 7-hydroxyflavanone isoxazoles and acrylates as potential anti-microbial agents". . p. 217 - 228. Retrieved 2019/11/28.