55624
3-羟基-3-甲基丁腈
≥97.0% (GC)
别名:
β-羟基异戊腈
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线性分子式:
HOC(CH3)2CH2CN
化学文摘社编号:
分子量:
99.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1738209
Assay:
≥97.0% (GC)
InChI
1S/C5H9NO/c1-5(2,7)3-4-6/h7H,3H2,1-2H3
SMILES string
CC(C)(O)CC#N
InChI key
CWPMDJFBWQJRGT-UHFFFAOYSA-N
assay
≥97.0% (GC)
refractive index
n20/D 1.430
bp
114-116 °C/30 mmHg (lit.)
density
0.959 g/mL at 20 °C (lit.)
functional group
hydroxyl, nitrile
storage temp.
2-8°C
Quality Level
General description
3-Hydroxy-3-methylbutyronitrile is a β-hydroxynitrile. It undergoes thermal degradation in gas phase via a six-membered cyclic transition state. 3-Hydroxy-3-methylbutyronitrile can be synthesized from 2-hydroxy-2-methyl-1-bromopropane.
Application
3-Hydroxy-3-methylbutyronitrile may be used to synthesize 1,1-dimethylcyanoethyl bromoacetate.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
206.6 °F - closed cup
flash_point_c
97 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Elimination kinetics of β-hydroxynitriles in the gas phase.
Chuchani G, et al.
Journal of Physical Organic Chemistry, 12, 19-23 (1999)
Theoretical study of the thermolysis reaction of β-hydroxynitriles in the gas phase.
Chamorro E, et al.
International Journal of Quantum Chemistry, 91(5), 618-625 (2003)
Douglas J Dellinger et al.
Journal of the American Chemical Society, 125(4), 940-950 (2003-01-23)
Phosphonoacetate and thiophosphonoacetate oligodeoxynucleotides were prepared via a solid-phase synthesis strategy. Under Reformatsky reaction conditions, novel esterified acetic acid phosphinodiamidites were synthesized and condensed with appropriately protected 5'-O-(4, 4'-dimethoxytrityl)-2'-deoxynucleosides to yield 3'-O-phosphinoamidite reactive monomers. These synthons when activated with tetrazole
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