Skip to Content
Merck
CN

591882

(3R)-(−)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde

98%

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Empirical Formula (Hill Notation):
C13H15NO
CAS Number:
405873-05-4
Molecular Weight:
201.26
NACRES:
NA.22
PubChem Substance ID:
24881358
UNSPSC Code:
12352005
MDL number:
MFCD05664285
Assay:
98%

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

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

100

Related Categories

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.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
15711TA

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

A three-step route to a tricyclic steroid precursor
Taber DF and Sheth RB
The Journal of Organic Chemistry, 73(20), 8030-8032 (2008)
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)
Catalytic enantioselective conjugate addition of indoles to simple α, β-unsaturated ketones
Bandini M, et al.
Tetrahedron Letters, 44(31), 5843-5846 (2003)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service