(S)-3-(1-Methyl-1H-indol-3-yl)-3-phenylpropanoic acid

Base Information

Chemical Name:(S)-3-(1-Methyl-1H-indol-3-yl)-3-phenylpropanoic acid
CAS No.:406920-62-5
Molecular Formula:C₁₈H₁₇NO₂
Molecular Weight:279.338
Hs Code.:
European Community (EC) Number:631-025-0
Mol file:406920-62-5.mol

Synonyms:(S)-3-(1-Methyl-1H-indol-3-yl)-3-phenylpropanoic acid;406920-62-5;SCHEMBL13800038;(3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid;(3S)-3-(1-methyl-1H-indol-3-yl)-3-phenylpropanoic acid

Suppliers and Price of (S)-3-(1-Methyl-1H-indol-3-yl)-3-phenylpropanoic acid

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-phenylpropionic acid Aldrich
100mg
$ 55.10

American Custom Chemicals Corporation
(3S)-(+)-3-(1-METHYLINDOL-3-YL)-3-PHENYLPROPIONIC ACID 95.00%
5MG
$ 502.77

Total 1 raw suppliers

Chemical Property of (S)-3-(1-Methyl-1H-indol-3-yl)-3-phenylpropanoic acid

Chemical Property:

Melting Point:63-67 °C(lit.)
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:279.125928785
Heavy Atom Count:21
Complexity:364

Purity/Quality:: (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn,Xi
Statements: 41-43
Safety Statements: 26-36/37/39

MSDS Files:

Useful:

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

Technology Process of (S)-3-(1-Methyl-1H-indol-3-yl)-3-phenylpropanoic acid

There total 3 articles about (S)-3-(1-Methyl-1H-indol-3-yl)-3-phenylpropanoic acid 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: 60.0%

: 2,2-dimethyl-5-((1-methyl-1H-indol-3-yl)(phenyl)methyl)-1,3-dioxane-4,6-dione

: 406920-67-0,406920-62-5
3-(1-methyl-1H-indol-3-yl)-3-phenylpropanoic acid

Guidance literature:: In water; N,N-dimethyl-formamide; at 100 ℃; for 4h;
DOI:10.1007/s12039-019-1621-x

Reference yield:

: 603-76-9
1-methylindole

: 406920-67-0,406920-62-5
3-(1-methyl-1H-indol-3-yl)-3-phenylpropanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: L-proline / acetonitrile / 18 h / 30 °C

2: N,N-dimethyl-formamide; water / 4 h / 100 °C

With L-proline; In water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1007/s12039-019-1621-x

Reference yield:

: 100-52-7
benzaldehyde

: 406920-67-0,406920-62-5
3-(1-methyl-1H-indol-3-yl)-3-phenylpropanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: L-proline / acetonitrile / 18 h / 30 °C

2: N,N-dimethyl-formamide; water / 4 h / 100 °C

With L-proline; In water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1007/s12039-019-1621-x