4-Methylbenzamide

Base Information

• Chemical Name: 4-Methylbenzamide
• CAS No.: 619-55-6
• Molecular Formula: C8H9NO
• Molecular Weight: 135.166
• Hs Code.: 29242990
• European Community (EC) Number: 210-600-6
• NSC Number: 2163
• UNII: N0V326V2F5
• DSSTox Substance ID: DTXSID2060705
• Nikkaji Number: J60.358I
• Wikidata: Q27284361
• ChEMBL ID: CHEMBL3247924
• Mol file: 619-55-6.mol

Synonyms:4-Methylbenzamide;p-Toluamide;619-55-6;Benzamide, 4-methyl-;p-Methylbenzamide;4-Methyl-benzamide;4-toluamide;Cladribine Impurity F;p-Tolylamide;p-methyl benzamide;NSC 2163;EINECS 210-600-6;UNII-N0V326V2F5;N0V326V2F5;NSC-2163;Tolylsaureamid;NSC2163;p-Toluamide, 99%;TOLUAMIDE, P-;SCHEMBL76475;CHEMBL3247924;DTXSID2060705;CHEBI:191154;AM9809;MFCD00008002;STK266961;AKOS002271150;BS-3776;SB66846;LS-27170;CLADRIBINE IMPURITY F [EP IMPURITY];CS-0071610;FT-0632592;T1257;A856509;Q27284361;F3147-3716;Mettler-Toledo Calibration substance ME 30130597, p-Toluamide, traceable to primary standards (LGC);SW7

Chemical Property of 4-Methylbenzamide

Chemical Property:

• Appearance/Colour: white crystalline powder or needles
• Vapor Pressure: 0.00686mmHg at 25°C
• Melting Point: 159-162 °C
• Refractive Index: 1.556
• Boiling Point: 270.4 °C at 760 mmHg
• PKA: 16.21±0.50(Predicted)
• Flash Point: 117.3 °C
• PSA: 43.09000
• Density: 1.086 g/cm³
• LogP: 1.79420
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Solubility.: soluble in Methanol
• 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: 125

Purity/Quality:

98% ^*data from raw suppliers

4-Methylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)N
• Uses: 4-Methylbenzamide is used in preparation of high efficiency nitriding reagents. p-Toluamide has been used in preparation of p-toloyl isocyanate. p-Toluamide Mettler-Toledo calibration substance ME 30130597 is used to calibrate Mettler-Toledo melting point instruments.

Technology Process of 4-Methylbenzamide

There total 149 articles about 4-Methylbenzamide 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: 99.0%

4-methyl-benzaldehyde (104-87-0) → para-methylbenzamide (619-55-6)

Guidance literature:

With hydroxylamine; C₃₃H₂₈F₃N₅O₃Ru⁽¹⁺⁾*Cl^(1-); In water; at 60 ℃; for 0.5h; Catalytic behavior; Sonication;

DOI:10.1246/BCSJ.20200071

Reference yield: 99.0%

carbon monoxide (201230-82-2) + para-bromotoluene (106-38-7) → para-methylbenzamide (619-55-6)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; (2R)-1-[(1R)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene; ammonium carbamate; sodium hydrogencarbonate; In 1,4-dioxane; at 100 ℃; for 20h; Inert atmosphere;

DOI:10.1021/ol201808y

Reference yield: 99.0%

p-methylbenzaldehyde oxime (3235-02-7,3717-15-5,3717-16-6,140461-26-3,140461-27-4) → para-methylbenzamide (619-55-6)

Guidance literature:

With C₅₅H₄₅ClN₅P₂Ru⁽¹⁺⁾*Cl^(1-); In water; at 110 ℃; for 12h; Sealed tube;

DOI:10.1039/c6ra07515k

upstream raw materials:

4-methyl-benzoic acid methyl ester

4-methyl-benzoyl chloride

para-methylbenzonitrile

potassium thioacyanate

Downstream raw materials:

benzonitrile

benzoic acid

N-(4-methylbenzoyl)benzamide

para-methylbenzonitrile