538205
异丁醛
dry, 98%
别名:
2-甲基丙醛
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线性分子式:
(CH3)2CHCHO
化学文摘社编号:
分子量:
72.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
201-149-6
Beilstein/REAXYS Number:
605330
MDL number:
产品名称
异丁醛, dry, 98%
InChI key
AMIMRNSIRUDHCM-UHFFFAOYSA-N
InChI
1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
SMILES string
[H]C(=O)C(C)C
vapor density
2.5 (vs air)
vapor pressure
66 mmHg ( 4.4 °C)
assay
98%
autoignition temp.
384 °F
expl. lim.
10 %, 25 °F
2 %, 32 °F
refractive index
n20/D 1.374 (lit.)
bp
63 °C (lit.)
mp
−65 °C (lit.)
solubility
60 g/L at 25 °C
density
0.79 g/mL at 25 °C (lit.)
functional group
aldehyde
storage temp.
2-8°C
Quality Level
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General description
Isobutyraldehyde is an α,α-disubstituted aldehyde. It is an important raw material for the manufacture of various industrially important chemicals. It may be produced from CO2 and overexpression of ribulose 1,5-bisphosphate carboxylase/oxygenase employing genetically engineered strain of Synechococcus elongatus PCC7942. Enantioenriched γ-nitroaldehydes are obtained from the conjugate addition reaction between isobutyraldehyde with nitroalkenes in the presence of chiral organocatalysts.
Application
Isobutyraldehyde may be used in the synthesis of the following compounds:
- N-cyclohrxyl-α-dimethylaminoisovalerarnide
- N′-cyclohexyl-N,N-dimethyl-α-dimethylaminoisovaleramidine
- α-acetoxy-N-cyclohexylisovaleramide
- acetic anhydride
- N-cyclohexyl-a-formyloxyisovaleramide
- cyclic carbonates
- hydroxypivaldehyde, which is useful for the preparation of neopentyl glycol (NPG)
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2
存储类别
3 - Flammable liquids
wgk
WGK 1
flash_point_f
-11.2 °F - closed cup
flash_point_c
-24 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves
法规信息
危险化学品
此项目有
Enantioselective Michael addition of isobutyraldehyde to nitroalkenes organocatalyzed by chiral primary amine-guanidines.
Avila A, et al.
Tetrahedron Asymmetry, 25(5), 462-467 (2014)
Cross-Aldol condensation of isobutyraldehyde and formaldehyde using phase transfer catalyst.
Hashmi A.
Journal of Saudi Chemical Society (2013)
Reactions of cyclohexylisonitrile and isobutyraldehyde with various nucleophiles and catalysts.
McFarland JW.
The Journal of Organic Chemistry, 28(9), 2179-2181 (1963)
Xiang Liu et al.
Journal of biotechnology, 164(2), 188-195 (2012-09-15)
We have determined the X-ray crystal structures of the NADH-dependent alcohol dehydrogenase LlAdhA from Lactococcus lactis and its laboratory-evolved variant LlAdhA(RE1) at 1.9Å and 2.5Å resolution, respectively. LlAdhA(RE1), which contains three amino acid mutations (Y50F, I212T, and L264V), was engineered
Hyunwoo Kim et al.
Organic letters, 11(1), 157-160 (2008-12-10)
Addition of isobutyraldehyde to 1,2-bis(2-hydroxyphenyl)-1,2-diaminoethane (mother diamine) cleanly gives a stable, fused imidazolidine-dihydro-1,3-oxazine ring complex. However, vigorous heating of the fused ring complex gives the diaza-Cope rearrangement product with excellent yield and stereoselectivity. A variety of alkyl aldehydes have been
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