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About This Item
线性分子式:
BrCH2CH(CH3)CO2CH3
CAS号:
分子量:
181.03
Beilstein:
1720832
MDL编号:
UNSPSC代码:
12352101
PubChem化学物质编号:
NACRES:
NA.22
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方案
97%
表单
liquid
旋光性
[α]20/D −23 to −16°, c = 5 neat
光学纯度
ee: 99% (GLC)
折射率
n20/D 1.455 (lit.)
沸点
97.5-98.5 °C/62 mmHg (lit.)
密度
1.422 g/mL at 25 °C (lit.)
官能团
bromo
ester
SMILES字符串
COC(=O)[C@H](C)CBr
InChI
1S/C5H9BrO2/c1-4(3-6)5(7)8-2/h4H,3H2,1-2H3/t4-/m1/s1
InChI key
FKWNAVCXZSQYTA-SCSAIBSYSA-N
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应用
(−)-Methyl (S)-3-bromo-2-methylpropionate can be used:
- As a reference substrate in the alkylation reactions of vitamin B12 derivatives.
- As a starting material in the preparation of biologically significant 3-[(2H-1,2,4-benzothiadiazine-1,1-dioxide-3-yl)thio]-2-methylpropanoic acids.
警示用语：
Warning
危险声明
危险分类
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
储存分类代码
10 - Combustible liquids
WGK
WGK 3
闪点(°F)
163.4 °F - closed cup
闪点(°C)
73 °C - closed cup
个人防护装备
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
Hydrophobic vitamin B12. Part 12. Preparation, characterization and enantioselective alkylation of strapped hydrophobic-vitamin B12
Murakami Y, et al.
J. Chem. Soc. Perkin Trans. II, 1175-1183 (1995)
Stereospecific synthesis of 3-[(2H-1, 2, 4-Benzothiadiazine-1, 1-dioxide-3-yl) thio]-2-methylpropanoic acids
Tait A, et al.
Tetrahedron Asymmetry, 7(9), 2703-2706 (1996)
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