Benzoic acid, 2-nitroso-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 2-nitroso-, methyl ester
• CAS No.: 61161-26-0
• Molecular Formula: C8H7NO3
• Molecular Weight: 165.148
• DSSTox Substance ID: DTXSID10446738
• Nikkaji Number: J2.279.456F
• Wikidata: Q82265454

Synonyms:Benzoic acid, 2-nitroso-, methyl ester;61161-26-0;methyl o-nitrosobenzoate;SCHEMBL11349080;DTXSID10446738;IBSXAAOLHMGYLZ-UHFFFAOYSA-N;2-Nitrosobenzoic acid methyl ester;2-nitroso-benzoic acid methyl ester

Chemical Property of Benzoic acid, 2-nitroso-, methyl ester

Chemical Property:

• PSA: 55.73000
• LogP: 1.87110
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 165.042593085
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1N=O

Technology Process of Benzoic acid, 2-nitroso-, methyl ester

There total 10 articles about Benzoic acid, 2-nitroso-, 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: 92.0%

2-carbomethoxyaniline (134-20-3) → o-carbomethoxynitrosobenzene (61161-26-0)

Guidance literature:

With sodium tungstate (VI) dihydrate; phosphoric acid; dihydrogen peroxide; In ethanol; at 60 - 65 ℃;

DOI:10.1039/C8OB01471J

Reference yield: 85.0%

methyl 2-nitrobenzoate (606-27-9) → o-carbomethoxynitrosobenzene (61161-26-0)

Guidance literature:

In various solvent(s); electrolytic synthesis, two neighbouring, porous electrodes of opposite polarity;

Reference yield:

methyl 2-nitrobenzoate (606-27-9) → o-carbomethoxynitrosobenzene (61161-26-0)

Guidance literature:

With ethanol; acetic acid; zinc; man giesst die Loesung in ein Gemisch von K₂Cr₂O₇ und verd. Schwefelsaeure;

upstream raw materials:

methanol

1-(dimethoxymethyl)-2-nitrobenzene

methyl 2-nitrobenzoate

2-carbomethoxyaniline

Downstream raw materials:

2-carbomethoxyaniline

1-(4'-methylphenylsulfonyl)-2,1-benzisoxazol-3(1H)-one

N-formylanthranilic acid

anthranilic acid

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