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

Base Information

Chemical Name:(3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde
CAS No.:405873-05-4
Molecular Formula:C₁₃H₁₅NO
Molecular Weight:201.268
Hs Code.:2933990090
European Community (EC) Number:693-598-3
DSSTox Substance ID:DTXSID70432531
Nikkaji Number:J1.684.366K
Wikidata:Q76414743
Mol file:405873-05-4.mol

Synonyms:405873-05-4;(3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde;(3R)-3-(1-methylindol-3-yl)butanal;(R)-3-(1-methyl-1h-indol-3-yl)butanal;(R)-3-(1-methyl-1h-indol-3-yl)-butanal;SCHEMBL6655804;DTXSID70432531;OQWWHYBHQFZHLP-SNVBAGLBSA-N;AKOS017343753;(R)-3-(1-Methyl-1H-indole-3-yl)butanal;1H-Indole-3-propanal,b,1-dimethyl-,(br)-;(3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde, 98%

Suppliers and Price of (3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
(3R)-(?)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde 98%
1g
$ 832.00

Chem-Impex
(3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde,99%(Chiralpurity) 99%(Chiralpurity)
1G
$ 856.80

American Custom Chemicals Corporation
(R)-3-(1-METHYL-1H-INDOL-3-YL)-BUTANAL 98.00%
1G
$ 1738.28

AK Scientific
(3R)-(?)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde
1g
$ 1318.00

AccelPharmtech
(bR)-b,1-dimethyl-1H-Indole-3-propanal 97.00%
25G
$ 5520.00

AccelPharmtech
(bR)-b,1-dimethyl-1H-Indole-3-propanal 97.00%
5G
$ 2960.00

AccelPharmtech
(bR)-b,1-dimethyl-1H-Indole-3-propanal 97.00%
1G
$ 1740.00

Total 11 raw suppliers

Chemical Property of (3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde

Chemical Property:

Melting Point:55.5-59.5 °C(lit.)
PSA：22.00000
LogP:2.87080
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:201.115364102
Heavy Atom Count:15
Complexity:229

Purity/Quality:

98%,99%, ^*data from raw suppliers

(3R)-(?)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn,T
Statements: 22-37/38-41-42/43-36/37/38-25
Safety Statements: 26-36-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC=O)C1=CN(C2=CC=CC=C21)C
Isomeric SMILES:C[C@H](CC=O)C1=CN(C2=CC=CC=C21)C
Uses (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.

Technology Process of (3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde

There total 9 articles about (3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 603-76-9
1-methylindole

: 123-73-9,4170-30-3
crotonaldehyde

: 405873-05-4
(R)-3-(1-methyl-1H-indol-3-yl)butanal

Guidance literature:: crotonaldehyde; With (S)-5-benzyl-2,2,3-trimethylimidazolidine-4-thione; trifluoroacetic acid; In tetrahydrofuran; isopropyl alcohol; at 20 ℃; for 0.25h;

1-methylindole; In tetrahydrofuran; isopropyl alcohol; at -25 ℃; for 5h; optical yield given as %ee; enantioselective reaction;
DOI:10.1016/j.tetlet.2011.11.007

Reference yield:

: 949489-76-3
1-(1-methyl-1H-imidazol-2-yl)-3-(1-methyl-1H-indol-3-yl)-butan-1-ol

: 405873-05-4
(R)-3-(1-methyl-1H-indol-3-yl)butanal

Guidance literature:: 1-(1-methyl-1H-imidazol-2-yl)-3-(1-methyl-1H-indol-3-yl)-butan-1-ol; With methyl iodide; In ethyl acetate; at 50 ℃;

With sodium hydroxide; In benzene; at 80 ℃; Further stages.;
DOI:10.1021/ja072976i