3-[[(2S)-1-Methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indole - CAS 362595-66-2
Catalog: |
BB059402 |
Product Name: |
3-[[(2S)-1-Methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indole |
CAS: |
362595-66-2 |
Synonyms: |
(S,E)-3-((1-methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indole; 3-[[(2S)-1-Methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indole; 5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole; 3-(((s)-1-methylpyrrolidin-2-yl)methyl)-5-((e)-2-(phenylsulfonyl)vinyl)-1h-indole |
IUPAC Name: | 5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole |
Description: | 3-[[(2S)-1-Methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indole is an intermediate in the synthesis of ent-Eletriptan (E505005), an enantiomeric impurity of the serotonin 5-HTIB/ID receptor agonist Eletriptan (E505000). |
Molecular Weight: | 380.5 |
Molecular Formula: | C22H24N2O2S |
Canonical SMILES: | CN1CCCC1CC2=CNC3=C2C=C(C=C3)C=CS(=O)(=O)C4=CC=CC=C4 |
InChI: | InChI=1S/C22H24N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-11,13-14,16,19,23H,5-6,12,15H2,1H3/b13-11+/t19-/m0/s1 |
InChI Key: | MJICWWOZPCLNBP-BPOBUFBUSA-N |
Solubility: | DCM, Methanol |
Appearance: | Brown Solid |
References: | Orita, A., et al. Green Chem., 3, 13 (2001). |
Complexity: | 621 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 380.15584919 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 380.15584919 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 61.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
-
Catalog: BB069926
((2R,4R)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB074213
((2R,3S,4R,5R,6R)-5-Acetamido-3,4-dihydroxy-6-(2-(trimethylsilyl)ethoxy)tetrahydro-2H-pyran-2-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB075348
((2S,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate, sodium salt
Detail
-
Catalog: BB069173
((1-Chloro-2-methylpropan-2-yl)oxy)trimethylsilane
Detail
-
Catalog: BB061033
((2R,5S,10aS,10bS)-10b-Hydroxy-5-isopropyl-2-methyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)carbamic Acid Benzyl Ester
Detail
-
Catalog: BB069927
((2R,4S)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB071775
((1R,4R)-4-(((tert-butyldimethylsilyl)oxy)methyl)cyclohexyl)methanol
Detail
-
Catalog: BB055105
((2R,5S,10aS,10bS)-5-Benzyl-8,10b-bis(benzyloxy)-2-methyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)carbamic Acid Benzyl Ester
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
-
[33229-34-4]
2,2'-[4-(2-Hydroxyethylamino)-3-nitrophenylimino]diethanol
-
[30360-19-1]
N,N'-Diethyl-N''-isopropyl-1,3,5-triazine-2,4,6-triamine
-
[172531-37-2]
Azido-PEG3-acetic acid
-
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
-
[155180-53-3]
RU-59063
-
[875573-66-3]
Estra-1,3,5(10)-triene-3,17-diol,7-(9-bromononyl)-,17-acetate,(7a,17b)-
INDUSTRY LEADERS TRUST OUR PRODUCTS