4-Methyl-3-nitrobenzoyl chloride

Base Information

• Chemical Name: 4-Methyl-3-nitrobenzoyl chloride
• CAS No.: 10397-30-5
• Molecular Formula: C8H6ClNO3
• Molecular Weight: 199.594
• Hs Code.: 2916399090
• European Community (EC) Number: 233-858-1
• DSSTox Substance ID: DTXSID20146171
• Nikkaji Number: J32.746H
• Wikidata: Q72493512
• Mol file: 10397-30-5.mol

Synonyms:4-Methyl-3-nitrobenzoyl chloride;10397-30-5;4-Methyl-3-nitrobenzoylchloride;3-Nitro-p-toluyl chloride;3-Nitro-p-toluoyl chloride;4-methyl-3-nitro-benzoyl chloride;EINECS 233-858-1;p-Methyl-m-nitrobenzoylchlorid;SCHEMBL242546;4-methyl-3 nitrobenzoyl chloride;DTXSID20146171;MFCD00035747;Benzoyl chloride, 4-methyl-3-nitro-;AKOS009158935;4-Methyl-3-nitrobenzoyl chloride, 99%;BS-23265;FT-0619038;E89352;M-4230;A800864

Chemical Property of 4-Methyl-3-nitrobenzoyl chloride

Chemical Property:

• Appearance/Colour: YELLOW LIQUID OR OIL
• Vapor Pressure: 0.0012mmHg at 25°C
• Melting Point: 20-21 °C(lit.)
• Refractive Index: n20/D 1.581(lit.)
• Boiling Point: 299.4 °C at 760 mmHg
• Flash Point: 134.9 °C
• PSA: 62.89000
• Density: 1.386 g/cm³
• LogP: 2.80540
• XLogP3: 2.9
• 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:

98%,99%, ^*data from raw suppliers

4-Methyl-3-nitrobenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)Cl)[N+](=O)[O-]
• Uses: 4-Methyl-3-nitrobenzoyl chloride was used in the synthesis of 4-amino-1,5-naphthalenedisulphonate acid monosodium salt, an intermediate employed in the synthesis of modified suramin molecule.It may be used in the synthesis of the following:benzophenone derivativesubstituted 3-amino-4-methyl-N-phenylbenzamideretroamide4-methyl-3-nitro-N-phenylbenzamide

Technology Process of 4-Methyl-3-nitrobenzoyl chloride

There total 7 articles about 4-Methyl-3-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: 98.0%

4-methyl-3-nitrobenzoic acid (96-98-0) → 4-methyl-3-nitrobenzoyl chloride (10397-30-5)

Guidance literature:

With thionyl chloride;

DOI:10.1016/j.bmcl.2012.06.044

Reference yield:

4-cyano-2-nitrotoluene (939-79-7) → 4-methyl-3-nitrobenzoyl chloride (10397-30-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / Hydrolysis

2: phosphorus pentachloride

With phosphorus pentachloride; sulfuric acid;

Reference yield:

para-methylbenzonitrile (104-85-8) → 4-methyl-3-nitrobenzoyl chloride (10397-30-5)

Guidance literature:

Multi-step reaction with 3 steps

1: durch Nitrierung

2: sulfuric acid / Hydrolysis

3: phosphorus pentachloride

With phosphorus pentachloride; sulfuric acid;

upstream raw materials:

4-methyl-3-nitrobenzoic acid

p-Toluic acid

4-cyano-2-nitrotoluene

para-methylbenzonitrile

Downstream raw materials:

4-methyl-3-nitro-benzoic acid thiazol-2-ylamide

(4-methyl-[1]naphthyl)-(4-methyl-3-nitro-phenyl)-ketone

[4-(4-methyl-3-nitro-benzoylamino)-phenyl]-arsonic acid

(4-methyl-3-nitro-phenyl)-[1]naphthyl ketone

Refernces

• 1、 Sri Ramudu,Ramachandran,Venkat Rao,Murali Krishna,Satya Narayana,Reddy, Kallam Naveen. "Design and synthesis of antimicrobial active new molecular entities of N-substituted pipradol derivatives". . p. 2113 - 2115. Retrieved 2017.
• 2、 Wang, Lu,Zhang, Yanmin,Zhang, Qing,Zhu, Gaoyuan,Zhang, Zhimin,Duan, Chunqi,Lu, Tao,Tang, Weifang. "Discovery of potent Pan-Raf inhibitors with increased solubility to overcome drug resistance". supporting information. p. 243 - 255. Retrieved 2018/12/11.
• 3、 Yarlagadda, Bharath,Devunuri, Nagaraj,Mandava, V. Basaveswara Rao. "Facile Synthesis of N-(Benzyl-1H-1,2,3-Triazol-5-yl) Methyl)-4-(6-Methoxybenzo [d] Thiazol-2-yl)-2-Nitrobenzamides via Click Chemistry". . p. 864 - 870. Retrieved 2017/03/27.