3,4,5-Trimethoxybenzaldehyde oxime

Base Information

• Chemical Name: 3,4,5-Trimethoxybenzaldehyde oxime
• CAS No.: 39201-89-3
• Molecular Formula: C10H13NO4
• Molecular Weight: 211.218
• European Community (EC) Number: 254-350-6
• UNII: 328C9DPF5K
• Mol file: 39201-89-3.mol

Synonyms:3,4,5-Trimethoxybenzaldehyde oxime;39201-89-3;(E)-3,4,5-trimethoxybenzaldehyde oxime;65567-39-7;3,4,5-Trimethoxybenzaldoxime;(NE)-N-[(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine;328C9DPF5K;Benzaldehyde, 3,4,5-trimethoxy-, oxime, (E)-;EINECS 254-350-6;Benzaldehyde, 3,4,5-trimethoxy-, oxime, (c(E))-;(E)-N-((3,4,5-Trimethoxyphenyl)methylidene)hydroxylamine;N-[(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine;N-((3,4,5-Trimethoxyphenyl)methylidene)hydroxylamine;(E)-N-[(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]HYDROXYLAMINE;UNII-328C9DPF5K;SCHEMBL3471744;QVZGKUBQTJBLKI-IZZDOVSWSA-N;HMS1541C06;MFCD00016411;STK054350;AKOS000489162;NCGC00174041-01;NCGC00174041-02;AS-62041;(1E)-3,4,5-trimethoxybenzaldehyde oxime;EN300-06092;VU0510765-1;E81582;AB01319151-02;A824455;AN-329/11482520;SR-01000044911;SR-01000044911-1;(E)-N-hydroxy-1-(3,4,5-trimethoxyphenyl)methanimine;Z49568333;F3146-5103

Chemical Property of 3,4,5-Trimethoxybenzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.000127mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 321 °C at 760 mmHg
• Flash Point: 148 °C
• PSA: 60.28000
• Density: 1.14 g/cm³
• LogP: 1.52050
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 211.08445790
• Heavy Atom Count: 15
• Complexity: 196

Purity/Quality:

98%min ^*data from raw suppliers

(E)-3,4,5-TrimethoxybenzaldehydeOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4,5-Trimethoxybenzaldehyde oxime

There total 5 articles about 3,4,5-Trimethoxybenzaldehyde 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: 96.0%

3,4,5-trimethoxy-benzaldehyde (86-81-7) → 3,4,5-trimethoxybenzaldehyde oxime (39201-89-3)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In methanol; at 20 ℃;

DOI:10.1021/jo401077q

Reference yield: 90.0%

3,4,5-trimethoxybenzylamine (18638-99-8) → (E)-3,4,5-trimethoxybenzaldehyde oxime (39201-89-3,65567-36-4,65567-39-7)

Guidance literature:

With Acetaldehyde oxime; 3-methyl-4-oxa-5-azahomoadamantane; oxygen; In water; at 100 ℃; for 8h; Green chemistry;

DOI:10.1002/adsc.201400601

Reference yield: 84.0%

3,4,5-trimethoxytoluene (6443-69-2) → 3,4,5-trimethoxybenzaldehyde oxime (39201-89-3)

Guidance literature:

With tert.-butylnitrite; N-hydroxyphthalimide; copper diacetate; In acetonitrile; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c5ob00923e DOI:10.1039/c5ob00923e

upstream raw materials:

3,4,5-trimethoxy-benzaldehyde

3,4,5-trimethoxybenzylamine

3,4,5-trimethoxytoluene

Downstream raw materials:

3-(3',4',5'-trimethoxyphenyl)-5-(3'',4''-dimethoxybenzyl)-4,5-dihydroisoxazole

3,4,5-Trimethoxybenzonitrile oxide

3,4,5-trimethoxy-benzaldehyde

3,4,5-trimethoxybenzohydroximoyl chloride

Refernces

• 1、 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.
• 2、 Hsueh, Nai-Chen,Chen, Shin-Mei,Lin, Chun-Yi,Chang, Meng-Yang. "HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines". . p. 1047 - 1059. Retrieved 2021/02/16.