tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate
• CAS No.: 577768-59-3
• Molecular Formula: C16H22N4O2
• Molecular Weight: 302.376
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40461393
• Nikkaji Number: J2.422.897E
• Wikidata: Q72470448
• Mol file: 577768-59-3.mol

Synonyms:577768-59-3;tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate;tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-piperazine-1-carboxylate;SCHEMBL4934159;DTXSID40461393;SETNUDBXVJYSGE-UHFFFAOYSA-N;MFCD09859122;AKOS015854407;AS-39307;FT-0678350;4-(1H-Pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylic Acid tert-butyl Ester;tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate, AldrichCPR

Chemical Property of tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate

Chemical Property:

• Refractive Index: 1.61
• PSA: 61.46000
• Density: 1.231±0.06 g/cm3 (20 oC 760 Torr), Calc
• LogP: 2.62290
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 302.17427596
• Heavy Atom Count: 22
• Complexity: 401

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=CNC3=NC=C2

Technology Process of tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate

There total 1 articles about tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate 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:

4-chloro-7-azaindole (55052-28-3) → tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate (577768-59-3)

Guidance literature:

Multi-step reaction with 4 steps

1.1: AcCl; NaI / acetonitrile / Heating

1.2: 52 percent / aq. NaOH / tetrahydrofuran / 40 °C

2.1: 99 percent / NaH / tetrahydrofuran / Heating

3.1: n-butyllithium / diethyl ether / -78 °C

3.2: 71 percent / N-fluorobenzenesulfonimide / tetrahydrofuran / -78 °C

4.1: 24 percent / triethylamine; NMP / 2 h / 160 °C / microwave irradiation

With 1-methyl-pyrrolidin-2-one; n-butyllithium; sodium hydride; triethylamine; acetyl chloride; sodium iodide; In tetrahydrofuran; diethyl ether; acetonitrile;

DOI:10.1016/j.tetlet.2007.01.003

Reference yield:

tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate (577768-59-3) + benzenesulfonyl chloride (98-09-9) → tert-butyl 4-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate

Guidance literature:

tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate; With 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine; In tetrahydrofuran; N,N-dimethyl-formamide;

benzenesulfonyl chloride; In tetrahydrofuran; N,N-dimethyl-formamide; for 2.5h;

Reference yield:

tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate (577768-59-3) + Methyl 4-(bromomethyl)benzoate (2417-72-3) → tert-butyl 4-(1-(4-(methoxycarbonyl)benzyl)-1H-pyrrolo[2.3-b]pyridin-4-yl)piperazine-1-carboxylate

Guidance literature:

With sodium hydride; potassium iodide; In N,N-dimethyl-formamide; at 60 ℃; for 3h;

upstream raw materials:

4-chloro-7-azaindole

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