(S)-3-(1H-Indole-3-yl)butyric acid

Base Information

Chemical Name:(S)-3-(1H-Indole-3-yl)butyric acid
CAS No.:214541-53-4
Molecular Formula:C12H13 N O2
Molecular Weight:203.24
Hs Code.:
DSSTox Substance ID:DTXSID201305893
Nikkaji Number:J1.217.317B
Mol file:214541-53-4.mol

Synonyms:SCHEMBL6982959;DTXSID201305893;(S)-3-(3-Indolyl)butanoic acid;(S)-3-(1H-Indole-3-yl)butyric acid;214541-53-4

Suppliers and Price of (S)-3-(1H-Indole-3-yl)butyric 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

AccelPharmtech
(bS)-b-methyl-1H-Indole-3-propanoicacid 97.00%
25G
$ 18200.00

AccelPharmtech
(bS)-b-methyl-1H-Indole-3-propanoicacid 97.00%
5G
$ 9620.00

AccelPharmtech
(bS)-b-methyl-1H-Indole-3-propanoicacid 97.00%
1G
$ 5550.00

Total 1 raw suppliers

Chemical Property of (S)-3-(1H-Indole-3-yl)butyric acid

Chemical Property:

PSA：53.09000
LogP:2.74610
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:203.094628657
Heavy Atom Count:15
Complexity:242

Purity/Quality:: (bS)-b-methyl-1H-Indole-3-propanoicacid 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC(=O)O)C1=CNC2=CC=CC=C21
Isomeric SMILES:C[C@@H](CC(=O)O)C1=CNC2=CC=CC=C21

Technology Process of (S)-3-(1H-Indole-3-yl)butyric acid

There total 15 articles about (S)-3-(1H-Indole-3-yl)butyric 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:

: 850694-99-4
2-hydroxy-5-(1H-indol-3-yl)-2-methylhexan-3-one

: 214541-53-4
(S)-3-(3-indolyl)butanoic acid

Guidance literature:: With periodic acid; In diethyl ether; at 0 ℃;
DOI:10.1021/ja0423217

Reference yield:

: 63339-68-4
(2R,3S)-2-carboxyl-3-methyl-3,5-dihydro-2H-thiopyrano[4,3,2-cd]indole

: 214541-53-4
(S)-3-(3-indolyl)butanoic acid

Guidance literature:: With sodium hydroxide; In water; for 1h; Reflux;

Reference yield:

: 120-72-9
indole

: 214541-53-4
(S)-3-(3-indolyl)butanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 2,2'-isopropylidene bis[(4S)-4-tert-butyl-2-oxazoline]; Cu(OTf)2 / CH₂Cl₂ / 0.17 h / 25 °C

1.2: 65 percent / CH₂Cl₂ / 3 h / 0 °C

2.1: HIO₄ / diethyl ether / 0 °C

With 2,2'-isopropylidenebis<(4S)-4-tert-butyl-4,5-dihydrooxazole>; copper(II) bis(trifluoromethanesulfonate); periodic acid; In diethyl ether; dichloromethane; 1.2: Friedel-Crafts alkylation;
DOI:10.1021/ja0423217