N-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide

Base Information

• Chemical Name: N-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide
• CAS No.: 894351-86-1
• Molecular Formula: C24H29 N3 O2 S
• Molecular Weight: 423.579
• Mol file: 894351-86-1.mol

Synonyms:2-[1-Benzyl-3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]ethanesulfonic Acid Methylamide;N-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide

Chemical Property of N-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 174-175 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.623
• Boiling Point: 635.029°C at 760 mmHg
• PKA: 11.52±0.40(Predicted)
• Flash Point: 337.854°C
• PSA: 62.72000
• Density: 1.212g/cm³
• LogP: 4.90980
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

N-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediate for the preparation of Naratriptan.

Technology Process of N-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide

There total 9 articles about N-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide 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: 75.0%

2-(1-benzyl-1H-indol-5-yl)ethanesulfonic acid methylamide (894351-85-0) + 1-Methyl-4-piperidone (1445-73-4) → 2-[1-benzyl-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indol-5-yl]-ethanesulfonic acid methylamide (894351-86-1)

Guidance literature:

In acetic acid; trifluoroacetic acid; at 100 ℃; for 1h;

DOI:10.3987/COM-06-10670

Reference yield:

2-(1-benzyl-1H-indol-5-yl)ethenesulfonic acid methylamide (894351-84-9) → 2-[1-benzyl-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indol-5-yl]-ethanesulfonic acid methylamide (894351-86-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / H₂ / 10 percent Pd/C / methanol / 2 h / 20 °C / 3750.3 Torr

2: 75 percent / trifluoroacetic acid; acetic acid / 1 h / 100 °C

With hydrogen; palladium on activated charcoal; In methanol; acetic acid; trifluoroacetic acid;

DOI:10.3987/COM-06-10670

Reference yield:

N-benzylindoline-5-carboxaldehyde (63263-84-3) → 2-[1-benzyl-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indol-5-yl]-ethanesulfonic acid methylamide (894351-86-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 75 percent / DDQ / CH₂Cl₂ / 3 h / 0 °C

2.1: t-BuOK / tetrahydrofuran / 1 h / -78 °C

2.2: 73 percent / tetrahydrofuran / -78 - 0 °C

3.1: 84 percent / H₂ / 10 percent Pd/C / methanol / 2 h / 20 °C / 3750.3 Torr

4.1: 75 percent / trifluoroacetic acid; acetic acid / 1 h / 100 °C

With potassium tert-butylate; hydrogen; 2,3-dicyano-5,6-dichloro-p-benzoquinone; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; acetic acid; trifluoroacetic acid;

DOI:10.3987/COM-06-10670

upstream raw materials:

2-(1-benzyl-1H-indol-5-yl)ethanesulfonic acid methylamide

1-Methyl-4-piperidone

2-(1-benzyl-1H-indol-5-yl)ethenesulfonic acid methylamide

N-benzylindoline-5-carboxaldehyde

Downstream raw materials:

naratriptan hydrochloride

naratriptan

N-methyl-2-[1-benzyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide

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