所有图片(1)
别名:
(S)-(-)-1-苯乙基异氰酸酯
线性分子式:
C6H5CH(CH3)NCO
CAS号:
分子量:
147.17
Beilstein:
4230972
EC 号:
MDL编号:
UNSPSC代码:
12352118
PubChem化学物质编号:
NACRES:
NA.22
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质量水平
检测方案
98%
形式
liquid
旋光性
[α]20/D −10°, neat
光学纯度
ee: 96% (GLC)
折射率
n20/D 1.5145 (lit.)
bp
55-56 °C/2.5 mmHg (lit.)
密度
1.045 g/mL at 20 °C (lit.)
储存温度
2-8°C
SMILES字符串
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-/m0/s1
InChI key
JJSCUXAFAJEQGB-QMMMGPOBSA-N
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一般描述
(S)-(-)-α-甲基苄基异氰酸酯是拆分对映体常用的手性衍生剂。
应用
(S)-(-)-α-甲基苄基异氰酸酯可作为拆分外消旋 (±)-6aR,11aR-高丽槐素的手性辅助剂，得到 (-)-形式，这是合成 (-)-卡本格林 A-I 的关键中间体。
警示用语：
Danger
危险分类
Acute Tox. 2 Inhalation - Aquatic Chronic 3 - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
靶器官
Respiratory system
WGK
WGK 3
闪点(°F)
closed cup
闪点(°C)
closed cup
个人防护装备
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Resolution of salbutamol enantiomers in human urine by reversed-phase high performance liquid chromatography after derivatization with (S)-(-)-a-methylbenzyl isocyanate.
Kim KH, et al.
Archives of Pharmacal Research, 20(5), 486-490 (1997)
Absolute configuration and total synthesis of (-)-cabenegrin AI.
Tokes AL, et al.
Tetrahedron, 55(30), 9283-9296 (1999)
Determination of the optical purity of (R)-terbutaline by 1 H-NMR and RP-LC using chiral derivatizing agent,(S)-(-)-a-methylbenzyl isocyanate.
Kim KH, et al.
Journal of Pharmaceutical and Biomedical Analysis, 25(5), 947-956 (2001)
Determination of pindolol enantiomers in human plasma and urine by simple liquid-liquid extraction and high-performance liquid chromatography.
Beal JL and Tett SE
Journal of Chromatography. B, Biomedical Applications, 715(2), 409-415 (1998)
High-performance liquid chromatographic determination of the enantiomers of beta-adrenoceptor blocking agents in biological fluids. II. Studies with atenolol.
S K Chin et al.
Journal of chromatography, 489(2), 438-445 (1989-04-14)
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