3-Methyl-4-nitrobenzoyl chloride

Base Information

• Chemical Name: 3-Methyl-4-nitrobenzoyl chloride
• CAS No.: 35675-46-8
• Molecular Formula: C8H6 Cl N O3
• Molecular Weight: 199.594
• Hs Code.: 2916399090
• European Community (EC) Number: 252-670-0
• DSSTox Substance ID: DTXSID40189181
• Nikkaji Number: J260.667D
• Wikidata: Q83061156
• Mol file: 35675-46-8.mol

Synonyms:3-Methyl-4-nitrobenzoyl chloride;35675-46-8;EINECS 252-670-0;3-methyl-4-nitrobenzoylchloride;SCHEMBL844701;DTXSID40189181;DUEGOHNPUBPUIV-UHFFFAOYSA-N;3-methyl-4-nitro-benzoyl chloride;MFCD00035883;3-Methyl-4-nitrobenzoic acid chloride

Chemical Property of 3-Methyl-4-nitrobenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.00121mmHg at 25°C
• Melting Point: 28 °C
• Boiling Point: 299.2°Cat760mmHg
• Flash Point: 134.7°C
• PSA: 62.89000
• Density: 1.386g/cm³
• LogP: 2.80540
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 199.0036207
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

99%, ^*data from raw suppliers

3-Methyl-4-nitrobenzoylchloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)Cl)[N+](=O)[O-]

Technology Process of 3-Methyl-4-nitrobenzoyl chloride

There total 2 articles about 3-Methyl-4-nitrobenzoyl chloride 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%

3-methyl-4-nitrobenzoic acid (3113-71-1) → 3-methyl-4-nitro-benzoyl chloride (35675-46-8)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 3h;

DOI:10.1016/j.bmc.2015.09.052

Reference yield:

→ 3-methyl-4-nitro-benzoyl chloride (35675-46-8)

Guidance literature:

With pyridine; thionyl chloride; In dichloromethane; for 8h; Reflux;

Reference yield: 94.0%

3-methyl-4-nitro-benzoyl chloride (35675-46-8) + diazomethyl-trimethyl-silane (18107-18-1) → (RS)-2-(3-methyl-4-nitrophenyl)oxirane (1400997-22-9)

Guidance literature:

3-methyl-4-nitro-benzoyl chloride; diazomethyl-trimethyl-silane; In tetrahydrofuran; hexane; acetonitrile; at 0 - 20 ℃; for 1h;

With hydrogen bromide; In tetrahydrofuran; hexane; acetonitrile; at 0 - 20 ℃; for 0.5h;

With sodium tetrahydroborate; In ethanol; at 5 - 20 ℃; for 1.08333h;

upstream raw materials:

3-methyl-4-nitrobenzoic acid

Downstream raw materials:

N-<2-(dimethylamino)ethyl>-3-methyl-4-nitrobenzamide

3-methyl-4-nitrohippuric acid

3-methyl-4-nitro-N-(2,6-dimethylphenyl)benzamide

(2-Isopropyl-pyrazolo[1,5-a]pyridin-3-yl)-(3-methyl-4-nitro-phenyl)-methanone

Refernces

• 1、 -. "Ester group-containing aromatic diamine monomer and preparation method thereof". Paragraph 0033-0036; 0048-0051. . Retrieved 2021/03/18.
• 2、 -. "Synthetic method of 3-methyl-4-amino-N-(4-amino-2-methyl-phenyl)-benzamide". Paragraph 0032; 0033; 0040; 0041; 0048-0049. . Retrieved 2020/05/05.