1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole

Product Name: 1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole
CAS No.: 188113-71-5
Chemical Name: 1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole
Synonyms: N-Acetyl-dehydro-Eletriptan;Eletriptan Dehydro N-Acetyl Imp;Eletriptan Dehydro N-Acetyl Impurity;1-ACETYL-3-[((2R)-1-METHYLPYRROLIDIN-2-YL)METHYL]-5-[(E)-2-(PHENYLSULFONYL)VINYL]INDOLE;(R)-1-ACETYL-5(2-BENZENE SULPHONYL ETHENYL)-3-(N-METHYLPYRROLIDIN-2-YL-METHYL-1H-INDOLE;(R)-1-(3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)ethanone;1-[3-[[(2R)-1-METHYL-2-PYRROLIDINYL]METHYL]-5-[(1E)-2-(PHENYLSULFONYL)ETHENYL]-1H-INDOL-1-YL]-;(S,E)-1-(3-((1-Methylpyrrolidin-2-yl)Methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)ethanone;(R,E)-1-(3-((1-methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)ethanone;1-[3-[[(2R)-1-METHYL-2-PYRROLIDINYL]METHYL]-5-[(1E)-2-(PHENYLSULFONYL)ETHENYL]-1H-INDOL-1-YL]ETHANONE
CBNumber: CB91473844
Molecular Formula: C24H26N2O3S
Formula Weight: 422.54
MOL File: 188113-71-5.mol

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1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole Property

Melting point:: >85°C (dec.)
Boiling point:: 620.7±55.0 °C(Predicted)
Density: 1.23±0.1 g/cm3(Predicted)
storage temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 10.20±0.40(Predicted)
form: Solid
color: Pale Beige to Light Brown
Stability:: Light Sensitive
InChIKey: MDVODIFOKYRNHD-ZISLFAKRSA-N
SMILES: C(=O)(N1C2=C(C=C(/C=C/S(C3=CC=CC=C3)(=O)=O)C=C2)C(C[C@H]2CCCN2C)=C1)C

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H317May cause an allergic skin reaction

H318Causes serious eye damage

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P272Contaminated work clothing should not be allowed out of the workplace.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

P321Specific treatment (see … on this label).

P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.

P363Wash contaminated clothing before reuse.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: A172285
Product name: N-Acetyl-dehydro-Eletriptan
Packaging: 25mg
Price: $1190
Updated: 2021/12/16

Chemenu

Product number: CM333831
Product name: (R)-1-(3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)ethanone
Purity: 95%+
Packaging: 5g
Price: $272
Updated: 2021/12/16

Chemenu

Product number: CM333831
Product name: (R)-1-(3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)ethanone
Purity: 95%+
Packaging: 10g
Price: $440
Updated: 2021/12/16

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1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole Chemical Properties,Usage,Production

Uses

N-Acetyl-dehydro-Eletriptan (1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole), is the impurity of Eletriptan (E505000), which is A serotonin 5-HTIB/ID receptor agonist, used for the treatment of migraine headaches.

Hazard

1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole has acute toxicity, causes skin irritation and severe eye irritation.

Synthesis

1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole can be synthesized as follows: Charge a sealable reaction tube equipped with a stirring bar with Pd (OAc)2 (4.5 mg, 0.02 mmol, 2 mol %), Dicyclohexyl[2′,4′,6′-tris(1-methylethyl)[1,1′:3′,1′′-terphenyl]-2-yl]phosphine (22.4 mg, 0.04 mmol, 4 mol %) and NaHCO3 (202 mg, 2.4 mmol). Add the phenyl vinyl sulfone (109 mg, 0.65 mmol), 1-[5-Bromo-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indol-1-yl]ethanone (168 mg, 0.5 mmol) and 2 mL of DMF to the reaction. Seal the tube with a Teflon-lined septum and heat to 16 h with vigorous stirring. Cool the suspension to room temperature, dilute with EtOAc and filter througha pad of Celite. Concentrate the filtrate in vacuo to dryness. Wash the residue with 1.0 M NaOH and extract with EtOAc. Consolidate the organic layer, dry with Na2SO4, filter and concentrate.

References

[1] DANIEL WEILIANG TAY*. Palladium-meta-Terarylphosphine Catalyst for the Mizoroki–Heck Reaction of (Hetero)Aryl Bromides and Functional Olefins[J]. Journal of Organic Chemistry, 2015, 80 8: 4054-4063. DOI:10.1021/acs.joc.5b00386.

1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole Preparation Products And Raw materials

Raw materials

Preparation Products

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1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole Suppliers

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188113-71-5, 1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indoleRelated Search:

(R,E)-1-(3-((1-methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)ethanone

1-[3-[[(2R)-1-METHYL-2-PYRROLIDINYL]METHYL]-5-[(1E)-2-(PHENYLSULFONYL)ETHENYL]-1H-INDOL-1-YL]ETHANONE

1-ACETYL-3-[((2R)-1-METHYLPYRROLIDIN-2-YL)METHYL]-5-[(E)-2-(PHENYLSULFONYL)VINYL]INDOLE

(S,E)-1-(3-((1-Methylpyrrolidin-2-yl)Methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)ethanone

Ethanone, 1-[3-[[(2R)-1-Methyl-2-pyrrolidinyl]Methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indol-1-yl]-

N-Acetyl-dehydro-Eletriptan

Eletriptan Dehydro N-Acetyl Impurity

Eletriptan Dehydro N-Acetyl Imp

1-[3-[[(2R)-1-METHYL-2-PYRROLIDINYL]METHYL]-5-[(1E)-2-(PHENYLSULFONYL)ETHENYL]-1H-INDOL-1-YL]-

(R)-1-(3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)ethanone

(R)-1-ACETYL-5(2-BENZENE SULPHONYL ETHENYL)-3-(N-METHYLPYRROLIDIN-2-YL-METHYL-1H-INDOLE

188113-71-5