m-Toluamide

Base Information

• Chemical Name: m-Toluamide
• CAS No.: 618-47-3
• Molecular Formula: C8H9NO
• Molecular Weight: 135.166
• Hs Code.: 29242998
• European Community (EC) Number: 210-553-1
• NSC Number: 2170
• DSSTox Substance ID: DTXSID50210798
• Nikkaji Number: J134.612A
• Wikidata: Q83085589
• ChEMBL ID: CHEMBL123572
• Mol file: 618-47-3.mol

Synonyms:3-Methylbenzamide;m-Toluamide;618-47-3;Benzamide, 3-methyl-;m-Methylbenzamide;3-Methyl-benzamide;CHEMBL123572;NSC 2170;EINECS 210-553-1;MFCD00007990;AI3-26774;meta-toluamide;3-Toluamide;NSC2170;3-Methylbenzamide, 99%;SCHEMBL12798;SCHEMBL13799999;DTXSID50210798;NSC-2170;BDBM50106189;AKOS003409216;BS-23128;CS-0204241;FT-0629012;E83804;EN300-370558;A868616;W-109580;Z33546925;F3147-3715

Chemical Property of m-Toluamide

Chemical Property:

• Appearance/Colour: white crystalline powder or chunks
• Vapor Pressure: 0.0181mmHg at 25°C
• Melting Point: 93-96 °C
• Refractive Index: 1.556
• Boiling Point: 253.57 °C at 760 mmHg
• PKA: 16.11±0.50(Predicted)
• Flash Point: 107.156 °C
• PSA: 43.09000
• Density: 1.086 g/cm³
• LogP: 1.79420
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

98% ^*data from raw suppliers

3-Methylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 36/37/38:
• Hazard Codes: 36/37/38:
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)N
• Uses: 3-Methylbenzamide may be used in chemical synthesis.

Technology Process of m-Toluamide

There total 41 articles about m-Toluamide 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: 97.0%

3-Methylbenzonitrile (620-22-4) → m-toluamide (618-47-3)

Guidance literature:

With [{Au(IPr)}2(μ-OH)][BF4]; water; In tetrahydrofuran; at 140 ℃; for 2h; under 5250.53 Torr; Reagent/catalyst; Sealed tube; Microwave irradiation;

Reference yield: 96.0%

3-methylbenzyl alcohol (587-03-1) → m-toluamide (618-47-3)

Guidance literature:

With tert.-butylhydroperoxide; ammonium hydroxide; In water; at 100 ℃; for 16h;

DOI:10.1039/c3gc40668g

Reference yield: 95.0%

m-tolyl aldehyde (620-23-5) → m-toluamide (618-47-3)

Guidance literature:

With hydroxylamine hydrochloride; caesium carbonate; In tetrahydrofuran; water; at 0 - 250 ℃; for 0.0833333h; under 150015 Torr;

DOI:10.1002/ejoc.201403280

upstream raw materials:

3-Methylbenzonitrile

3-Methylbenzoyl chloride

dipropargylacetamide

3-methylbenzoyl azide

Downstream raw materials:

(3-Methylbenzoyl)-isocyanat

N-Azepan-(2E)-ylidene-3-methyl-benzamide

3-Methyl-N-[1-methyl-azepan-(2E)-ylidene]-benzamide

3-methyl-N-nitrobenzamide

Refernces

• 1、 Schmidt-R?ntsch, Till,Verplancke, Hendrik,Lienert, Jonas N.,Demeshko, Serhiy,Otte, Matthias,Van Trieste, Gerard P.,Reid, Kaleb A.,Reibenspies, Joseph H.,Powers, David C.,Holthausen, Max C.,Schneider, Sven. "Nitrogen Atom Transfer Catalysis by Metallonitrene C?H Insertion: Photocatalytic Amidation of Aldehydes". . . Retrieved 2022/01/20.
• 2、 Chen, Xuenian,Kang, Jia-Xin,Ma, Yan-Na,Miao, Yu-Qi. "Visible light-mediated synthesis of amides from carboxylic acids and amine-boranes". supporting information. p. 3595 - 3599. Retrieved 2021/06/06.