2-Methoxy-5-nitrobenzaldehyde

Base Information

• Chemical Name: 2-Methoxy-5-nitrobenzaldehyde
• CAS No.: 25016-02-8
• Deprecated CAS: 939374-52-4
• Molecular Formula: C8H7 N O4
• Molecular Weight: 181.148
• Hs Code.: 2913000090
• European Community (EC) Number: 811-106-9
• DSSTox Substance ID: DTXSID1067041
• Nikkaji Number: J422.150H
• Wikidata: Q81993624
• Mol file: 25016-02-8.mol

Synonyms:2-Methoxy-5-nitrobenzaldehyde;25016-02-8;Benzaldehyde, 2-methoxy-5-nitro-;Benzaldehyde,2-methoxy-5-nitro-;2-methoxy-5-nitro-benzaldehyde;SCHEMBL1098465;DTXSID1067041;MFCD02093683;STK397884;2-Methoxy-5-nitrobenzaldehyde, 97%;AKOS000290640;AKOS015889427;DS-17745;CS-0043160;FT-0638484;I11532;EN300-1725381;A817602;J-015775;Z31131508

Chemical Property of 2-Methoxy-5-nitrobenzaldehyde

Chemical Property:

• Appearance/Colour: WHITE TO YELLOW POWDER OR CRYSTALS
• Vapor Pressure: 0.00011mmHg at 25°C
• Melting Point: 89-92 °C(lit.)
• Boiling Point: 336.7 °C at 760 mmHg
• Flash Point: 172.3 °C
• PSA: 72.12000
• Density: 1.322 g/cm³
• LogP: 1.93910
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: very soluble in Dimethylformamide
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 181.03750770
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methoxy-5-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C=O

Technology Process of 2-Methoxy-5-nitrobenzaldehyde

There total 16 articles about 2-Methoxy-5-nitrobenzaldehyde 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%

2-Methoxy-5-nitro-benzaldehyd-dimethylacetal (6968-37-2) → 2-methoxy-5-nitrobenzaldehyde (25016-02-8)

Guidance literature:

With lithium tetrafluoroborate; In acetonitrile; for 4.25h; Ambient temperature;

Reference yield: 94.0%

5-Nitrosalicylaldehyde (97-51-8) + methyl iodide (74-88-4) → 2-methoxy-5-nitrobenzaldehyde (25016-02-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1002/anie.201007559

Reference yield: 85.0%

methanol (67-56-1) + 2-fluoro-5-nitrobenzaldehye (27996-87-8) → 2-methoxy-5-nitrobenzaldehyde (25016-02-8)

Guidance literature:

With sodium methylate; at 20 ℃;

DOI:10.1016/j.ejmech.2019.05.090

upstream raw materials:

5-Nitrosalicylaldehyde

methyl iodide

ortho-anisaldehyde

2-methoxycinnamic acid

Downstream raw materials:

2-methoxy-5-nitrophenylmethanol

2-methoxy-3,5-dinitrobenzoic acid

5-nitro-2-methoxy-α-benzylidenedoxim

3,5-Diethoxycarbonyl-4-(2-methoxy-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine

Refernces

• 1、 Qiu, Yangyi,Chan, Shu Ting,Lin, Lin,Shek, Tsun Lam,Tsang, Tsz Fung,Barua, Nilakshi,Zhang, Yufeng,Ip, Margaret,Chan, Paul Kay-sheung,Blanchard, Nicolas,Hanquet, Gilles,Zuo, Zhong,Yang, Xiao,Ma, Cong. "Design, synthesis and biological evaluation of antimicrobial diarylimine and –amine compounds targeting the interaction between the bacterial NusB and NusE proteins". . p. 214 - 231. Retrieved 2019/06/14.
• 2、 Zarei, Mahmoud,Noroozizadeh, Ehsan,Moosavi-Zare, Ahmad R.,Zolfigol, Mohammad A.. "Synthesis of nitroolefins and nitroarenes under mild conditions". . p. 3645 - 3650. Retrieved 2018/04/14.