591882
(3R)-(-)-3-(1-甲基-1H-吲哚-3-基)丁醛
98%
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关于此项目
经验公式（希尔记法）:
C13H15NO
化学文摘社编号:
分子量:
201.26
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Assay:
98%
InChI
1S/C13H15NO/c1-10(7-8-15)12-9-14(2)13-6-4-3-5-11(12)13/h3-6,8-10H,7H2,1-2H3/t10-/m1/s1
SMILES string
C[C@H](CC=O)c1cn(C)c2ccccc12
InChI key
OQWWHYBHQFZHLP-SNVBAGLBSA-N
assay
98%
optical activity
[α]20/D -6, c = 1% in chloroform
optical purity
ee: 99% (HPLC)
mp
55.5-59.5 °C (lit.)
functional group
aldehyde
Quality Level
Application
(3R)-(−)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde can be used as a substrate in the synthesis of 2-alkyl cyclohexanone intermediates, applicable in the preparation of tricyclic steroid precursors.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
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
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Catalytic enantioselective conjugate addition of indoles to simple α, β-unsaturated ketones
Bandini M, et al.
Tetrahedron Letters, 44(31), 5843-5846 (2003)
Can simple enones be useful partners for the catalytic stereoselective alkylation of indoles?
Bandini M, et al.
The Journal of Organic Chemistry, 69(22), 7511-7518 (2004)
A three-step route to a tricyclic steroid precursor
Taber DF and Sheth RB
The Journal of Organic Chemistry, 73(20), 8030-8032 (2008)
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