3-Amino-4-methylbenzonitrile CAS 60710-80-7

Introduction：Basic information about 3-Amino-4-methylbenzonitrile CAS 60710-80-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

3-Amino-4-methylbenzonitrile Basic information

• Product Name: 3-Amino-4-methylbenzonitrile
• Synonyms: 5-Cyano-2-methylaniline, 2-Amino-4-cyanotoluene;3-AMINO-4-METHYLBENZONITRILE;Benzonitrile, 3-amino-4-methyl-;2-Amino-4-cyanotoluene;3-Amino-4-methylbenzonitrile 98%;3-Amino-p-tolunitrile
• CAS: 60710-80-7
• MF: C8H8N2
• MW: 132.16
• Product Categories: Aromatic Nitriles;Nitrile
• Mol File: 60710-80-7.mol

3-Amino-4-methylbenzonitrile Chemical Properties

• Melting point: 81 °C
• Boiling point: 312.8±22.0 °C(Predicted)
• density: 1.10±0.1 g/cm3(Predicted)
• storage temp.: Keep in dark place,Inert atmosphere,Room temperature
• form: crystals
• pka: 2?+-.0.10(Predicted)
• color: White to off white to clear shards
• InChI: InChI=1S/C8H8N2/c1-6-2-3-7(5-9)4-8(6)10/h2-4H,10H2,1H3
• InChIKey: IEWMNQUBZPVSSV-UHFFFAOYSA-N
• SMILES: C(#N)C1=CC=C(C)C(N)=C1
• CAS DataBase Reference: 60710-80-7(CAS DataBase Reference)

Safety Information

• Hazard Codes: T
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: 3276
• Hazard Note: Toxic
• HazardClass: IRRITANT
• HS Code: 2926907090

3-Amino-4-methylbenzonitrile Usage And Synthesis

Chemical Properties

off-white crystalline

Uses

3-Amino-4-methylbenzonitrile is an organic compound commonly used as an intermediate in organic synthesis, especially in pharmaceutical and pesticide chemistry.

Synthesis

939-79-7

60710-80-7

C.14.b. Synthesis of 3-amino-4-methylbenzonitrile: 120 g of 3-nitro-4-methylbenzonitrile was suspended in 1.2 L of ethanol, and 7 g of 10% Pd/C catalyst was added and the hydrogenation reaction was carried out in a 50 L hydrogen atmosphere at room temperature. Upon completion of the reaction, the catalyst was removed by diatomaceous earth filtration, followed by distillation under reduced pressure to remove the solvent to afford 95 g of pure 3-amino-4-methylbenzonitrile in 97% yield. The product was characterized by 1H-NMR (DMSO-d6; δ, ppm): 7.1 (dd, 1H); 6.90 (d, 1H); 6.85 (d, 1H); 5.35 (s, 2H, NH2); 2.15 (s, 3H).

References

[1] Patent: US6455671, 2002, B1
[2] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 8, p. 1203 - 1208
[3] Chemische Berichte, 1903, vol. 36, p. 4359
[4] Chemische Berichte, 1904, vol. 37, p. 1845
[5] Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 1997, vol. 53, # 2, p. 141 - 150

3-Amino-4-methylbenzonitrile Preparation Products And Raw materials

• Raw materials: 5-Bromo-2-methylaniline-->3-Amino-4-methylbenzamide-->4-Methyl-3-nitrobenzonitrile-->Benzonitrile, 4-(chloromethyl)-3-nitro--->4-(Chloromethyl)tolunitrile-->5-Chloro-2-methylaniline-->Palladium hydroxide-->ZINC CYANIDE-->HYDROGEN CYANIDE-->p-Tolunitrile
• Preparation Products: 3-Amino-4-methylbenzoic acid-->3-Acetamido-4-methylbenzoic acid-->5-Amino-2-bromo-4-methyl-benzonitrile-->5-Cyano-2-methyl-benzenesulfonyl chloride