1-pentyl-1H-indole-3-carboxylic acid

Base Information

Chemical Name:1-pentyl-1H-indole-3-carboxylic acid
CAS No.:727421-73-0
Molecular Formula:C14H17NO2
Molecular Weight:231.294
Hs Code.:2933990090
DSSTox Substance ID:DTXSID101024523
Nikkaji Number:J3.294.268G
Mol file:727421-73-0.mol

Synonyms:1-pentyl-1H-indole-3-carboxylic acid;727421-73-0;1-pentylindole-3-carboxylic acid;3-carboxy-1-pentyl-1H-indole;PB-22 3-carboxyindole metabolite;SCHEMBL11903673;AMY7752;HAPJUNILBCTRIJ-UHFFFAOYSA-N;DTXSID101024523;CEB42173;MFCD05859192;STL139318;AKOS003349264;BS-3132;CS-0199220;NS00017243;C76312;EN300-125089;Z335290214

Suppliers and Price of 1-pentyl-1H-indole-3-carboxylic 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

TRC
1-Pentyl-1H-indole-3-carboxylicAcid
25mg
$ 65.00

SynQuest Laboratories
1-Pentyl-1H-indole-3-carboxylic acid
1 g
$ 573.00

Sigma-Aldrich
PB-22 3-carboxyindole metabolite solution 100?μg/mL in acetonitrile, certified reference material, ampule of 1?mL, Cerilliant?
1 mL
$ 132.00

Sigma-Aldrich
PB-22 3-carboxyindole metabolite solution 100 μg/mL in acetonitrile, certified reference material, ampule of 1 mL
102-1ml
$ 128.00

Matrix Scientific
1-Pentyl-1H-indole-3-carboxylic acid >90%
500mg
$ 451.00

Matrix Scientific
1-Pentyl-1H-indole-3-carboxylic acid >90%
1g
$ 676.00

Crysdot
1-Pentyl-1H-indole-3-carboxylicacid 95+%
5g
$ 495.00

Crysdot
1-Pentyl-1H-indole-3-carboxylicacid 95+%
10g
$ 941.00

Chemenu
1-Pentyl-1H-indole-3-carboxylicacid 95%
10g
$ 888.00

Cayman Chemical
PB-22 3-carboxyindole metabolite ≥98%
1mg
$ 95.00

Total 5 raw suppliers

Chemical Property of 1-pentyl-1H-indole-3-carboxylic acid

Chemical Property:

Boiling Point:418.3±18.0 °C(Predicted)
PKA:4.01±0.10(Predicted)
PSA：42.23000
Density:1.12±0.1 g/cm3(Predicted)
LogP:3.52970
Storage Temp.:-20°C
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:231.125928785
Heavy Atom Count:17
Complexity:267

Purity/Quality:

98% ^*data from raw suppliers

1-Pentyl-1H-indole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCN1C=C(C2=CC=CC=C21)C(=O)O
Uses PB-22 is an analog of the potent synthetic cannabinoid, JWH 018 , which differs by having 8-hydroxyquinoline replacing the naphthalene group of JWH 018. PB-22 3-carboxyindole metabolite is expected to be a metabolite of PB-22 that would be detectable both in serum and urine. The physiological and toxicological properties of 1-pentyl-1H-indole-3-carboxylic acid are not known. This product is intended for forensic and research applications.

Technology Process of 1-pentyl-1H-indole-3-carboxylic acid

There total 8 articles about 1-pentyl-1H-indole-3-carboxylic 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: 92.0%

: 1338925-20-4
methyl 1-pentyl-1H-indole-3-carboxylate

: 727421-73-0
1-pentyl-1H-indole-3-carboxylic acid

Guidance literature:: methyl 1-pentyl-1H-indole-3-carboxylate; With potassium hydroxide; In ethanol; water; at 20 - 75 ℃;

With hydrogenchloride; In ethanol; water;
DOI:10.1016/j.ejmech.2011.08.021