220574

(R)-(+)-α-メチルベンジルイソシアナート

99%

• 別名: (R)-(+)-1-フェニルエチルイソシアナート
• 化学式: C₆H₅CH(CH₃)NCO
• CAS番号: 33375-06-3
• 分子量: 147.17
• Beilstein: 3196930
• EC Number: 251-485-2
• MDL番号: MFCD00063015
• UNSPSCコード: 12352118
• PubChem Substance ID: 24853180
• NACRES: NA.22

特性

• 品質水準: 200
• アッセイ: 99%
• 形状: liquid
• 光学活性: [α]20/D +10°, neat
• 光学純度: ee: 96% (GLC)
• 屈折率: n20/D 1.513 (lit.)
• bp: 55-56 °C/2.5 mmHg (lit.)
• 密度: 1.045 g/mL at 20 °C (lit.)
• 官能基: amine; isocyanate; phenyl
• 保管温度: 2-8°C
• SMILES記法: C[C@@H](N=C=O)c1ccccc1
• InChI: 1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m1/s1
• InChI Key: JJSCUXAFAJEQGB-MRVPVSSYSA-N

詳細

詳細

(R)-(+)-α-Methylbenzyl isocyanate is an organic compound that belongs to the class of isocyanates. It is used in the synthesis of chiral ligands for asymmetric catalysis. These ligands play a crucial role in enantioselective reactions, allowing to produce single enantiomer products.

アプリケーション

• Paper Title: Stereoselective metabolism of nicotine and tobacco-specific N-nitrosamines to 4-hydroxy-4-(3-pyridyl)butanoic acid in rats. (Trushin N, Hecht SS, 1999).
• Paper Title: Absolute configuration of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol formed metabolically from 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone. (Hecht SS, Spratt TE, Trushin N, 1997).

安全性情報

• ピクトグラム: GHS06,GHS08
• シグナルワード: Danger
• 危険有害性情報: H315,H317,H319,H330,H334,H335
• 注意書き: P260 - P264 - P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338
• 危険有害性の分類: Acute Tox. 2 Inhalation - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• ターゲットの組織: Respiratory system
• 保管分類コード: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• 引火点(°F): 149.0 °F - closed cup
• 引火点(℃): 65 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter