3-Methoxy-2-nitrobenzamide

Base Information

• Chemical Name: 3-Methoxy-2-nitrobenzamide
• CAS No.: 99595-85-4
• Molecular Formula: C8H8N2O4
• Molecular Weight: 196.163
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80361565
• Wikidata: Q82143927
• ChEMBL ID: CHEMBL502218
• Mol file: 99595-85-4.mol

Synonyms:3-methoxy-2-nitrobenzamide;99595-85-4;Oprea1_873945;SCHEMBL167965;CHEMBL502218;DTXSID80361565;ZDA59585;AKOS006276566;AS-58952;CS-0205168;FT-0671236;E79660

Chemical Property of 3-Methoxy-2-nitrobenzamide

Chemical Property:

• Vapor Pressure: 0.000297mmHg at 25°C
• Boiling Point: 321.5oC at 760 mmHg
• Flash Point: 148.2oC
• PSA: 98.14000
• Density: 1.362g/cm3
• LogP: 1.92580
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 196.04840674
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

99%, ^*data from raw suppliers

3-Methoxy-2-nitrobenzamide ^*data from reagent suppliers

Safty Information:

• Statements: 22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1[N+](=O)[O-])C(=O)N
• Uses: 3-Methoxy-2-nitrobenzamide (cas# 99595-85-4) is a compound useful in organic synthesis.

Technology Process of 3-Methoxy-2-nitrobenzamide

There total 3 articles about 3-Methoxy-2-nitrobenzamide 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: 95.0%

3-methoxy-2-nitrobenzoic acid (4920-80-3) → 3-methoxy-2-nitro-benzamide (99595-85-4)

Guidance literature:

With ammonium hydroxide; thionyl chloride; In tetrahydrofuran;

Reference yield:

2-nitro-3-methoxybenzoyl chloride (15865-57-3) → 3-methoxy-2-nitro-benzamide (99595-85-4)

Guidance literature:

With ammonium hydroxide;

Reference yield:

→ 3-methoxy-2-nitro-benzamide (99595-85-4)

Guidance literature:

/BRN= 3283905/;

upstream raw materials:

2-nitro-3-methoxybenzoyl chloride

3-methoxy-2-nitrobenzoic acid

Downstream raw materials:

3-methoxy-2-nitroaniline

3-methoxy-2-nitrobenzonitrile

3-methoxy-2-aminobenzonitrile

2-Amino-5-bromo-3-hydroxybenzonitrile