5-[4-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one

Base Information

Chemical Name:5-[4-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one
CAS No.:166882-70-8
Molecular Formula:C₁₉H₂₁NO₃S₂
Molecular Weight:375.513
Hs Code.:
UNII:2NV5BTN3UD
DSSTox Substance ID:DTXSID50432998
Wikidata:Q82247137
ChEMBL ID:CHEMBL4098652

Synonyms:166882-70-8;AZD 4407;5-[4-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one;UNII-2NV5BTN3UD;2NV5BTN3UD;AZD4407;AZD-4407;ZD4407;ZD-4407;5-(4-((2S,4R)-4-Hydroxy-2-methyloxan-4-yl)thiophen-2-yl)sulfanyl-1-methyl-3H-indol-2-one;1,3-Dihydro-1-methyl-5-((4-((2S,4R)-tetrahydro-4-hydroxy-2-methyl-2H-pyran-4-yl)-2-thienyl)thio)-2H-indol-2-one;2H-Indol-2-one, 1,3-dihydro-1-methyl-5-((4-((2S,4R)-tetrahydro-4-hydroxy-2-methyl-2H-pyran-4-yl)-2-thienyl)thio)-;2H-Indol-2-one, 1,3-dihydro-1-methyl-5-((4-(tetrahydro-4-hydroxy-2-methyl-2H-pyran-4-yl)-2-thienyl)thio)-, (2S-trans)-;2H-INDOL-2-ONE, 1,3-DIHYDRO-1-METHYL-5-[[4-[(2S,4R)-TETRAHYDRO-4-HYDROXY-2-METHYL-2H-PYRAN-4-YL]-2-THIENYL]THIO]-;ZD 4407;SCHEMBL1445371;CHEMBL4098652;DTXSID50432998;MQLADKMVHOOVET-HXPMCKFVSA-N;HY-U00217;AKOS040732515;CS-7351;(2s, 4r)-4-hydroxy-2-methyl4-[2-(1-methyl-2-oxoindolin-5-ylthio)thien4-yl]tetrahydropyran

Suppliers and Price of 5-[4-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one

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
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price

Total 1 raw suppliers

Chemical Property of 5-[4-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:375.09628588
Heavy Atom Count:25
Complexity:519

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(CCO1)(C2=CSC(=C2)SC3=CC4=C(C=C3)N(C(=O)C4)C)O
Isomeric SMILES:C[C@H]1C[C@](CCO1)(C2=CSC(=C2)SC3=CC4=C(C=C3)N(C(=O)C4)C)O

Technology Process of 5-[4-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one

There total 31 articles about 5-[4-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one 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: 32.0%

: toluene-4-thiosulfonic acid S-(2-tert-butyldimethylsilyloxy)-1-methyl-1H-indol-5-yl ester

: (2S,4R)-2-methyl-4-(trimethylsilyloxy)-4-thiophen-3-yltetrahydropyrans

: 406463-50-1
(2S,4S)-4-hydroxy-2-methyl-4-[2-(1-methyl-2-oxoindolin-5-ylthio)thien-4-yl]-tetrahydropyran

: 166882-70-8
5-[[4-[(2S,4R)-4-hydroxy-2-methyl-tetrahydropyran-4-yl]-2-thienyl]sulfanyl]-1-methyl-indolin-2-one

: C₂₀H₂₃NO₃S₂

Guidance literature:: (2S,4R)-2-methyl-4-(trimethylsilyloxy)-4-thiophen-3-yltetrahydropyrans; With n-hexyllithium; In tetrahydrofuran; hexane; toluene; at -28 - -25 ℃; for 0.0833333h; Inert atmosphere;

toluene-4-thiosulfonic acid S-(2-tert-butyldimethylsilyloxy)-1-methyl-1H-indol-5-yl ester; In tetrahydrofuran; hexane; toluene; at -25 ℃; for 0.5h; Inert atmosphere;
DOI:10.1021/op0500483

Reference yield:

: 14221-01-3
tetrakis(triphenylphosphine) palladium⁽⁰⁾

: 20870-90-0
5-bromo-1-methyl-1,3-dihydro-indol-2-one

: 166882-94-6
(2S,4R)-4-hydroxy-4-(2-mercaptothien-4-yl)-2-methyltetrahydropyran

: 166882-70-8
5-[[4-[(2S,4R)-4-hydroxy-2-methyl-tetrahydropyran-4-yl]-2-thienyl]sulfanyl]-1-methyl-indolin-2-one

Guidance literature:: With potassium tert-butylate; In dimethyl sulfoxide;

Reference yield:

: C₂₈H₄₃NO₃S₂Si₂

: 166882-70-8
5-[[4-[(2S,4R)-4-hydroxy-2-methyl-tetrahydropyran-4-yl]-2-thienyl]sulfanyl]-1-methyl-indolin-2-one

Guidance literature:: C₂₈H₄₃NO₃S₂Si₂; With sulfuric acid; In water; toluene; acetonitrile; at 20 - 30 ℃; for 65h; Inert atmosphere; Large scale;

In toluene; at 85 ℃; Inert atmosphere; Large scale;
DOI:10.1021/op0500483