Acetic acid, 2-[[1-(phenylmethyl)-1h-indol-3-yl]thio]-

Base Information

Chemical Name:Acetic acid, 2-[[1-(phenylmethyl)-1h-indol-3-yl]thio]-
CAS No.:524035-97-0
Molecular Formula:C₁₇H₁₅NO₂S
Molecular Weight:297.378
Hs Code.:2933990090
DSSTox Substance ID:DTXSID401224625
ChEMBL ID:CHEMBL1319903
Mol file:524035-97-0.mol

Synonyms:524035-97-0;1-Benzylindole-3-thioacetic acid;acetic acid, 2-[[1-(phenylmethyl)-1h-indol-3-yl]thio]-;2-(1-benzylindol-3-yl)sulfanylacetic acid;[(1-benzyl-1H-indol-3-yl)thio]acetic acid;2-((1-Benzyl-1H-indol-3-yl)thio)acetic acid;ChemDiv2_002701;CBKinase1_001931;CBKinase1_014331;Oprea1_870570;MLS001202172;CHEMBL1319903;DTXSID401224625;HMS1376K17;HMS2883D14;MFCD03410208;STK681076;AKOS005596217;1-benzyl-indol-3-ylsulfanylacetic acid;BS-37985;SMR000565121;CS-0315871;2-((1-Benzyl-1H-indol-3-yl)thio)aceticacid;(1-Benzyl-1H-indol-3-ylsulfanyl)-acetic acid;[(1-benzyl-1H-indol-3-yl)sulfanyl]acetic acid;2-[(1-benzyl-1H-indol-3-yl)sulfanyl]acetic acid;BRD-K15891596-001-01-8;2-[[1-(Phenylmethyl)-1H-indol-3-yl]thio]acetic acid

Suppliers and Price of Acetic acid, 2-[[1-(phenylmethyl)-1h-indol-3-yl]thio]-

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

ChemBridge Corporation
[(1-benzyl-1H-indol-3-yl)thio]aceticacid 95%
1 g
$ 46.00

American Custom Chemicals Corporation
[(1-BENZYL-1H-INDOL-3-YL)THIO]ACETIC ACID 95.00%
5G
$ 1138.78

American Custom Chemicals Corporation
[(1-BENZYL-1H-INDOL-3-YL)THIO]ACETIC ACID 95.00%
1G
$ 721.59

Total 3 raw suppliers

Chemical Property of Acetic acid, 2-[[1-(phenylmethyl)-1h-indol-3-yl]thio]-

Chemical Property:

Vapor Pressure:1.79E-12mmHg at 25°C
Boiling Point:539.5°C at 760 mmHg
Flash Point:280.1°C
PSA：67.53000
Density:1.23g/cm³
LogP:3.86630
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:297.08234989
Heavy Atom Count:21
Complexity:357

Purity/Quality:

99% ^*data from raw suppliers

[(1-benzyl-1H-indol-3-yl)thio]aceticacid 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)O

Technology Process of Acetic acid, 2-[[1-(phenylmethyl)-1h-indol-3-yl]thio]-

There total 5 articles about Acetic acid, 2-[[1-(phenylmethyl)-1h-indol-3-yl]thio]- 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: 95.0%

: C₁₆H₁₅N₃S*BrH

: 79-11-8
chloroacetic acid

: 524035-97-0
(1-benzylindol-3-ylsulfanyl)acetic acid

Guidance literature:: With sodium hydroxide; In water; for 0.5h; pH=9 - 10;
DOI:10.1134/S1070427218030205

Reference yield: 84.0%

: 3377-71-7
N-benzylindole

: 79-11-8
chloroacetic acid

: 524035-97-0
(1-benzylindol-3-ylsulfanyl)acetic acid

Guidance literature:: N-benzylindole; With iodine; thiourea; potassium iodide; In methanol; water; at 30 - 40 ℃; for 3h;

chloroacetic acid; With sodium hydroxide; In methanol; water; for 2h; pH=9; Heating;
DOI:10.1023/A:1022566202511

Reference yield:

: 1049779-48-7
C₁₆H₁₅N₃S*HI

: 79-11-8
chloroacetic acid

: 524035-97-0
(1-benzylindol-3-ylsulfanyl)acetic acid

Guidance literature:: C₁₆H₁₅N₃S*HI; chloroacetic acid; With hydrazine hydrate; sodium hydroxide; In ethanol; water; for 2h; Heating; Inert atmosphere;

With hydrogenchloride; In water; at 5 ℃; for 12h; pH=1;
DOI:10.1007/s11172-010-0384-9