2-Methoxy-5-nitrobenzoic acid

Base Information

• Chemical Name: 2-Methoxy-5-nitrobenzoic acid
• CAS No.: 40751-89-1
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.147
• Hs Code.: 2916399090
• NSC Number: 139931
• DSSTox Substance ID: DTXSID30300904
• Nikkaji Number: J1.845.851I
• Wikidata: Q82044327
• Mol file: 40751-89-1.mol

Synonyms:2-Methoxy-5-nitrobenzoic acid;40751-89-1;2-METHOXY-5-NITROBENZOICACID;MFCD00527902;2-Methoxy-5-nitro-benzoic acid;NSC139931;SCHEMBL1671926;2-methoxy-5-nitro benzoic acid;DTXSID30300904;BBL035691;STK498307;AKOS000112213;AB06422;AM83230;NSC 139931;NSC-139931;DS-13174;SY045506;CS-0042693;FT-0687098;EN300-13911;A873239;J-509834;Z56174915;F1414-0365

Chemical Property of 2-Methoxy-5-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 1.34E-06mmHg at 25°C
• Melting Point: 155-158℃
• Refractive Index: 1.588
• Boiling Point: 384.5 °C at 760 mmHg
• Flash Point: 186.3 °C
• PSA: 92.35000
• Density: 1.43 g/cm³
• LogP: 1.82480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 197.03242232
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

98%min ^*data from raw suppliers

2-Methoxy-5-nitrobenzoicacid ^*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)[N+](=O)[O-])C(=O)O

Technology Process of 2-Methoxy-5-nitrobenzoic acid

There total 23 articles about 2-Methoxy-5-nitrobenzoic acid 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: 100.0%

2-Methoxybenzoic acid (579-75-9) → 2-methoxy-5-nitrobenzoic acid (40751-89-1)

Guidance literature:

With nitrourea; sulfuric acid; at 25 ℃; for 24h;

DOI:10.1016/j.tetlet.2006.10.027

Reference yield: 95.0%

methyl 2-methoxy-5-nitrobenzoate (34841-11-7) → 2-methoxy-5-nitrobenzoic acid (40751-89-1)

Guidance literature:

With sodium hydroxide; In methanol; for 2h; Heating;

DOI:10.1021/jm00118a031

Reference yield: 81.0%

2-chloro-5-nitrobenzoic acid (2516-96-3) + sodium methylate (124-41-4) → 2-methoxy-5-nitrobenzoic acid (40751-89-1)

Guidance literature:

2-chloro-5-nitrobenzoic acid; sodium methylate; In methanol; for 12h; Heating / reflux;

With hydrogenchloride; In water; at 20 ℃; for 0.5h; pH=~ 2;

upstream raw materials:

2-chloro-5-nitrobenzoic acid

sodium methylate

2-methoxy-5-nitrophenylmethanol

2-methoxy-5-nitro-benzamide

Downstream raw materials:

2-methoxy-5-nitrobenzoyl chloride

5-acetylamino-2-methoxy-benzoic acid

3-amino-6-methoxy-benzoic acid

2-methoxy-5-nitro-benzoic acid o-anisidide

Refernces

• 1、 Wang, Yan,Wang, Xiao,Chen, Xin,Liu, Xiujie. "Synthesis and in vitro anti-platelet aggregation activities of 2-methoxy-5-arylamido-N-(pyridin-3-yl-methyl)benzamides". . . Retrieved 2018/12/11.
• 2、 -. "Compounds for use in treatment of mucostitis". Page/Page column 377. . Retrieved 2015/11/09.