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2-Methoxybenzyl Isocyanate - CAS 93489-08-8

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Category
Main Product
Product Name
2-Methoxybenzyl Isocyanate
Catalog Number
93489-08-8
CAS Number
93489-08-8
Molecular Weight
163.17
Molecular Formula
C9H9NO2
COA
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MSDS
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Structure
CAS 93489-08-8 2-Methoxybenzyl Isocyanate
Specification
Purity
95%
Boiling Point
231-232ºC
Density
1.060
Appearance
Colorless to orange liquid
Reference Reading
1.Stability of benzylic-type isothiocyanates in hydrodistillation-mimicking conditions.
De Nicola GR1, Montaut S, Rollin P, Nyegue M, Menut C, Iori R, Tatibouët A. J Agric Food Chem. 2013 Jan 9;61(1):137-42. doi: 10.1021/jf3041534. Epub 2012 Dec 18.
Pentadiplandra brazzeana Baillon (Pentadiplandraceae) is known to contain benzyl-, 3-methoxybenzyl-, 4-methoxybenzyl-, 3,4-dimethoxybenzyl-, and indole-type glucosinolates, and the essential oil obtained from its roots is mainly constituted of benzyl isothiocyanate and benzyl cyanide. In a previous study by the authors, it was surmised that partial hydrolytic degradation of 4-methoxybenzyl isothiocyanate, one major expected compound, occurred during the hydrodistillation process of essential oil preparation. To probe this hypothesis, a selection of diversely substituted benzylic-type isothiocyanates was submitted to standard hydrodistillation-mimicking conditions. After extraction with dichloromethane, the reaction mixtures were analyzed using GC-MS. The aqueous phases resulting from liquid-liquid extraction were analyzed by HPLC and GC-MS. 2-Methoxybenzyl, 4-methoxybenzyl, 3,4-dimethoxybenzyl, and 3,4,5-trimethoxybenzyl isothiocyanates underwent conversion into 2-methoxybenzyl, 4-methoxybenzyl, 3,4-dimethoxybenzyl, and 3,4,5-trimethoxybenzyl alcohols, respectively, whereas benzyl, 3-methoxybenzyl, and 4-chlorobenzyl isothiocyanates were converted into the corresponding benzylamines.
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