(3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde

Base Information

Chemical Name:(3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde
CAS No.:405873-09-8
Molecular Formula:C18H17NO
Molecular Weight:263.339
Hs Code.:
European Community (EC) Number:693-526-0
DSSTox Substance ID:DTXSID10584381
Nikkaji Number:J2.428.650I
Wikidata:Q76511194
Mol file:405873-09-8.mol

Synonyms:405873-09-8;(3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde;(3S)-3-(1-METHYLINDOL-3-YL)-3-PHENYLPROPANAL;(S)-3-(1-Methyl-1H-indol-3-yl)-3-phenylpropanal;(3S)-3-(1-Methyl-1H-indol-3-yl)-3-phenylpropanal;SCHEMBL6658285;DTXSID10584381;IAWAPDWVVBQEPB-HNNXBMFYSA-N;(S)-3-(1-Methyl-1H-indol-3-yl)-3-phenyl-propanal;(3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde, 97%

Suppliers and Price of (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde

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
(3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde 97%
1g
$ 834.00

American Custom Chemicals Corporation
(3S)-(+)-3-(1-METHYLINDOL-3-YL)-3-PHENYLPROPIONALDEHYDE 95.00%
1G
$ 1648.13

AK Scientific
(3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde
1g
$ 1320.00

Total 1 raw suppliers

Chemical Property of (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde

Chemical Property:

Melting Point:63-67 °C(lit.)
Boiling Point:412.4±30.0 °C(Predicted)
PSA：22.00000
Density:1.07±0.1 g/cm3(Predicted)
LogP:3.89920
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:263.131014166
Heavy Atom Count:20
Complexity:323

Purity/Quality:: (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=C(C2=CC=CC=C21)C(CC=O)C3=CC=CC=C3
Isomeric SMILES:CN1C=C(C2=CC=CC=C21)[C@@H](CC=O)C3=CC=CC=C3

Technology Process of (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde

There total 11 articles about (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde 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: 84.0%

: 14371-10-9
(E)-3-phenylpropenal

: 603-76-9
1-methylindole

: 406920-63-6
(R)-3-(1-methyl-1H-indol-3-yl)-3-phenylpropanal

: 405873-09-8,406920-63-6
(R)-3-(1-methyl-1H-indol-3-yl)-3-phenyl-propanal

Guidance literature:: With (2S,5S)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one; trifluoroacetic acid; In dichloromethane; isopropyl alcohol; at -55 ℃; for 45h; Title compound not separated from byproducts;
DOI:10.1021/ja017255c

Reference yield: 77.0%

: 458564-00-6
3-(1-methyl-1H-indol-3-yl)-3-phenyl-propionic acid ethyl ester

: 405873-09-8,406920-63-6
(R)-3-(1-methyl-1H-indol-3-yl)-3-phenyl-propanal

Guidance literature:: With diisobutylaluminium hydride; In dichloromethane; toluene; at -100 - -90 ℃; for 0.5h;
DOI:10.1021/jo035552p

Reference yield: 76.0%

: 603-76-9
1-methylindole

: 104-55-2
3-phenyl-propenal

: 405873-09-8,406920-63-6
(R)-3-(1-methyl-1H-indol-3-yl)-3-phenyl-propanal

Guidance literature:: With C₁₇H₈F₁₂N₂S*C₂F₃O₂^(1-)*C₁₅H₂₃N₂O⁽¹⁺⁾; In dichloromethane; at -50 - 20 ℃; for 45h; Reagent/catalyst; enantioselective reaction;
DOI:10.1002/anie.201206881