3,4-Dimethoxybenzaldehyde oxime

Base Information

• Chemical Name: 3,4-Dimethoxybenzaldehyde oxime
• CAS No.: 2169-98-4
• Molecular Formula: C₉H₁₁NO₃
• Molecular Weight: 181.191
• Hs Code.: 2928000090
• European Community (EC) Number: 839-653-9
• NSC Number: 637182
• UNII: AGF8M2WPJ5
• Mol file: 2169-98-4.mol

Synonyms:3,4-Dimethoxybenzaldehyde oxime;2169-98-4;3,4-Dimethoxybenzaldoxime;Veratraldoxime;Vera traldoxime;Benzaldehyde, 3,4-dimethoxy-, oxime;VERATRALDEHYDE, OXIME;(NE)-N-[(3,4-dimethoxyphenyl)methylidene]hydroxylamine;3,4-Dimethoxy-benzaldoxim;AGF8M2WPJ5;(E)-3,4-Dimethoxybenzaldehyde oxime;NSC 27025;NSC637182;BRN 2268157;N-[(3,4-dimethoxyphenyl)methylidene]hydroxylamine;39627-82-2;NSC-27025;UNII-AGF8M2WPJ5;3,4-dimethox-ybenzaldehyde oxime;LHZIVRAMZJJLAP-UXBLZVDNSA-N;HMS1788A21;MFCD00019960;STK398325;(1E)-3,4-dimethoxybenzaldehyde oxime;AKOS000304789;NSC-637182;NCGC00326016-01;LS-07299;LS-162023;EN300-15686;AB01321227-02;(E)-1-(3,4-dimethoxyphenyl)-N-hydroxymethanimine;3-08-00-02035 (Beilstein Handbook Reference);A815617;J-014242;Z49568350;(E)-N-[(3,4-dimethoxyphenyl)-methylene]-hydroxylamine;(E)-N-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]HYDROXYLAMINE

Chemical Property of 3,4-Dimethoxybenzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.00151mmHg at 25°C
• Boiling Point: 283.2°Cat760mmHg
• Flash Point: 125.1°C
• PSA: 51.05000
• Density: 1.11g/cm³
• LogP: 1.51190
• XLogP3: 1.8
• 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:

97% ^*data from raw suppliers

3,4-DimethoxybenzaldehydeOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=NO)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=N/O)OC

Technology Process of 3,4-Dimethoxybenzaldehyde oxime

There total 6 articles about 3,4-Dimethoxybenzaldehyde 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-dimethoxy-benzaldehyde (120-14-9) → 3,4-Dimethoxy-benzaldehyde oxime (2169-98-4,39627-82-2)

Guidance literature:

With hydroxylamine hydrochloride; silica gel; for 0.0333333h;

DOI:10.1080/00397919908086156

Reference yield: 90.0%

3,4-dimethoxybenzylamine (5763-61-1) → 3,4-Dimethoxy-benzaldehyde oxime (2169-98-4,39627-82-2)

Guidance literature:

With diperoxydodecanedioic acid; In N,N-dimethyl-formamide; at 20 - 55 ℃; for 0.333333h;

DOI:10.1039/c5nj00801h

Reference yield: 44.3%

Mo(O)(O2)2(H2O)(P(N(CH3)2)3) + 3,4-dimethoxybenzylamine (5763-61-1) → Mo(O)2(O2)((CH3O)2C6H3CH2NH2)2 (152408-27-0) + 3,4-Dimethoxy-benzaldehyde oxime (2169-98-4,39627-82-2) + N-(3,4-dimethoxybenzyl)-1-(3,4-dimethoxyphenyl)methanimine (57535-59-8)

Guidance literature:

In acetonitrile; byproducts: H2O, (Me2N)3P; addn. of Mo-complex to soln. of amine, treatment (35 min), pptn.; filtration off, washing (MeCN, Et2O), drying (vac.); elem. anal.;

DOI:10.1016/0304-5102(93)87041-6

upstream raw materials:

3,4-dimethoxy-benzaldehyde

(Z)-C-(3,4-dimethoxyphenyl)-N-methyl-nitrone

N-methylveratrylamine

3,4-dimethoxybenzylamine

Downstream raw materials:

3,4-dimethoxybenzylamine

1-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-3-methyl-3,4-dihydro-isoquinoline

veratronitrile

3,4-dimethoxy-benzaldehyde