Benzoic acid, 3-(methoxymethoxy)-4-methyl-5-nitro-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 3-(methoxymethoxy)-4-methyl-5-nitro-, methyl ester
• CAS No.: 125229-14-3
• Molecular Formula: C11H13NO6
• Molecular Weight: 255.227
• DSSTox Substance ID: DTXSID60447351
• Nikkaji Number: J291.494H
• Wikidata: Q82266213
• Mol file: 125229-14-3.mol

Synonyms:125229-14-3;Benzoic acid, 3-(methoxymethoxy)-4-methyl-5-nitro-, methyl ester;DTXSID60447351;3-Methoxymethoxy-4-methyl-5-nitrobenzoic acid methyl ester

Chemical Property of Benzoic acid, 3-(methoxymethoxy)-4-methyl-5-nitro-, methyl ester

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 255.07428713
• Heavy Atom Count: 18
• Complexity: 302

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1OCOC)C(=O)OC)[N+](=O)[O-]

Technology Process of Benzoic acid, 3-(methoxymethoxy)-4-methyl-5-nitro-, methyl ester

There total 3 articles about Benzoic acid, 3-(methoxymethoxy)-4-methyl-5-nitro-, methyl ester 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: 98.0%

Dimethoxymethane (109-87-5) + 3-hydroxy-4-methyl-5-nitrobenzoic acid methyl ester (125229-13-2) → methyl 3-methoxymethyloxy-4-methyl-5-nitrobenzene (125229-14-3)

Guidance literature:

With phosphorus pentoxide; In dichloromethane; at 20 ℃;

DOI:10.1021/jo0206521

Reference yield: 97.0%

3-hydroxy-4-methyl-5-nitrobenzoic acid methyl ester (125229-13-2) + chloromethyl methyl ether (107-30-2) → methyl 3-methoxymethyloxy-4-methyl-5-nitrobenzene (125229-14-3)

Guidance literature:

With potassium carbonate; In acetone;

DOI:10.1021/jo00291a010

Reference yield:

3-hydroxy-4-methyl-5-nitrobenzoic acid (54591-64-9) → methyl 3-methoxymethyloxy-4-methyl-5-nitrobenzene (125229-14-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / sulfuric acid / H₂O / 20 h / Heating

2: 98 percent / P₂O₅ / CH₂Cl₂ / 20 °C

With sulfuric acid; phosphorus pentoxide; In dichloromethane; water;

DOI:10.1021/jo0206521

upstream raw materials:

3-hydroxy-4-methyl-5-nitrobenzoic acid methyl ester

chloromethyl methyl ether

Dimethoxymethane

3-hydroxy-4-methyl-5-nitrobenzoic acid

Downstream raw materials:

[2S-(2α,3α)]-methyl ester 2-[1-hydroxy-2-[(4-methoxycarbonyl)-2-(methoxymethoxy)-6-nitrophenyl]ethyl]-3-[[(4-methoxyphenyl)methoxy]methyl]-1-aziridinecarboxylic acid

methyl (2S,3S)-3-[N-[1-benzenesulfonyl-4-methoxy-4-oxo-(2,3)-[N-(9-phenylfluoren-9-yl)aziridino]butyl]amino]-5-methoxymethoxy-4-methylbenzoate

3-Benzenesulfonylamino-5-methoxymethoxy-4-methyl-benzoic acid methyl ester

(1aS,9aS)-3-[(4,5-dimethoxy-2-nitrophenyl)methyl] 1,5-dimethyl ester 9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1a,2,3,8,9,9a-hexahydro-7-(methoxymethoxy)-1H-aziridino[2,3-c][1]benzazocine-1,3,5(2H)-tricarboxylic acid

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