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| | 3-Methylbenzyl cyanide Basic information |
| | 3-Methylbenzyl cyanide Chemical Properties |
| Boiling point | 240-241 °C(lit.) | | density | 1.002 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.52(lit.) | | Fp | >230 °F | | storage temp. | Sealed in dry,Room Temperature | | form | clear liquid | | color | Colorless to Light orange to Yellow | | Specific Gravity | 1.002 | | Water Solubility | INSOLUBLE | | BRN | 1099644 | | Exposure limits | NIOSH: IDLH 25 mg/m3 | | InChI | InChI=1S/C9H9N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5H2,1H3 | | InChIKey | WOJADIOTNFDWNQ-UHFFFAOYSA-N | | SMILES | C1(CC#N)=CC=CC(C)=C1 | | CAS DataBase Reference | 2947-60-6(CAS DataBase Reference) | | NIST Chemistry Reference | 3-Tolylacetic acid nitrile(2947-60-6) |
| | 3-Methylbenzyl cyanide Usage And Synthesis |
| Chemical Properties | clear colorless to light yellow liquid | | Uses | (3-Methylphenyl)acetonitrile was used as a reactant to synthesize potential non-nucleoside reverse transcriptase inhibitors (NNRTIs) against HIV. It was also used as a reactant to prepare hepatitis C virus inhibitors. | | Synthesis | GENERAL METHOD: To a mixture of benzyl halide (1.0 mmol) and MY (Y: N3, SCN, OAc, CN) (2 mmol) in water (5 mL) was added -CDPU-MNPs (0.1 g). The suspension was magnetically stirred under reflux conditions for the time indicated in Table 1. The progress of the reaction was monitored by TLC (using n-hexane-ethyl acetate as eluent), and after confirming that the feedstock was completely consumed, the catalyst was adsorbed to the side wall of the reaction vessel using an external magnet. The aqueous phase was separated by decantation and extracted with ether (2 x 10 mL). The organic phases were combined and dried with anhydrous calcium chloride (CaCl2) and subsequently concentrated under vacuum to give the target product m-methylphenylacetonitrile. The residual catalyst in the reaction vessel was washed and dried and can be used directly in the next reaction. | | References | [1] Journal of Molecular Catalysis A: Chemical, 2012, vol. 365, p. 80 - 86
[2] Applied Organometallic Chemistry, 2018, vol. 32, # 4,
[3] Applied Organometallic Chemistry, 2018, vol. 32, # 2,
[4] Catalysis Communications, 2012, vol. 18, p. 102 - 105 |
| | 3-Methylbenzyl cyanide Preparation Products And Raw materials |
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