Product
Supplier
Encyclopedia
Inquiry
Home > Encyclopedia > 5-METHYL-1H-PYRROLO[2,3-B]PYRIDINE

5-METHYL-1H-PYRROLO[2,3-B]PYRIDINE

5-METHYL-1H-PYRROLO[2,3-B]PYRIDINE structure

5-METHYL-1H-PYRROLO[2,3-B]PYRIDINE 

structure
  • CAS No:

    824-52-2

  • Formula:

    C8H8N2

  • Chemical Name:

    5-METHYL-1H-PYRROLO[2,3-B]PYRIDINE

  • Synonyms:

    5-Methyl-1H-pyrrolo[2,3-b]pyridine;5-METHYL-7-AZAINDOLE;1H-PYRROLO[2,3-B]PYRIDINE, 5-METHYL-;SCHEMBL294106;AMPD00274;CTK5E9696;DTXSID60609018;CS-D0725;KS-000005SD;ANW-49172

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

5-METHYL-1H-PYRROLO[2,3-B]PYRIDINE is Light yellow solid

5-METHYL-1H-PYRROLO[2,3-B]PYRIDINE Basic Attributes

132.166

132.068741

DTXSID60609018

2933990090

Characteristics

28.7

1.7

1.2±0.1 g/cm3

138-139 °C

1.667

Safety Information

NONH for all modes of transport

3

26-39

Xi: Irritant;

P280-P305 + P351 + P338

H302-H315-H318

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-METHYL-1H-PYRROLO[2,3-B]PYRIDINE Use and Manufacturing

Methods of Manufacturing

Compound 2 (9.8 g, 48.0 mmol) and N-methylpyrrolidone (50 mL) were added to a three-necked flask;Sodium hydride (60percent, 2.8 g, 59 mmol) was added to the ice bath, 100 degrees Celsius for 10 minutes. Cool to room temperature, Saturated ammonium chloride solution (50 mL) was added and extracted with ethyl acetate (50 mL x 3); the organic phases were combined, washed with water (100 mL) and saturated brine (100 mL), dried over sodium sulphate and filtered. The filtrate was spin dried to give the crude product, which was recrystallized from ethyl acetate (10 mL) to give white solid, compound 3 (5.1 g, 38.6 mmol, 80percent).Step 2-Preparation of 5-methyl-1H-pyrrolo[2, 3-b]pyridine (15)To 5-Methyl-1-triisopropylsilanyl-1H-pyrrolo[2, 3-b]pyridine (14, 0.160 g, 0.55 mmol) in tetrahydrofuran (3.0 mL) was added tetra-n-butylammonium fluoride (0.145 g, 0.55 mmol). The reaction was stirred for 1 hour at room temperature. The reaction was poured into water and extracted with ethyl acetate. The organic layer was washed with brine, dried over anhydrous sodium sulfate and filtered. The filtrate was concentrated and purified by silica gel column chromatography eluting with 3percent methanol in dichloromethane to provide light yellow solid (15, 0.07 g, 95percent). MS (ESI)[M+HTo 5-Methyl-l -triisopropylsilanyl-lH-pyrrolo[2, 3-b]pyridine (100, 0.16O g, 0.55 mmol) in tetrahydrofuran (3.0 mL) was added tetra-n-butylammonium fluoride (0.145 g, 0.55 mmol). The reaction was stirred for 1 hour at room temperature. The reaction was poured into water and extracted with ethyl acetate. The organic layer was washed with brine, dried over anhydrous sodium sulfate and filtered. The filtrate was concentrated and purified by silica gel column chromatography eluting with 3percent methanol in dichloromethane to provide light yellow solid (101, 0.07 g, 95percent).Compound 2 (9.8 g, 48.0 mmol) and N-methylpyrrolidone (50 mL) were added to a three-necked flask;Sodium hydride (60percent, 2.8 g, 59 mmol) was added to the ice bath, 100 degrees Celsius for 10 minutes. Cool to room temperature, Saturated ammonium chloride solution (50 mL) was added and extracted with ethyl acetate (50 mL x 3); the organic phases were combined, washed with water (100 mL) and saturated brine (100 mL), dried over sodium sulphate and filtered. The filtrate was spin dried to give the crude product, which was recrystallized from ethyl acetate (10 mL) to give white solid, compound 3 (5.1 g, 38.6 mmol, 80percent).Step 2-Preparation of 5-methyl-1H-pyrrolo[2, 3-b]pyridine (15)To 5-Methyl-1-triisopropylsilanyl-1H-pyrrolo[2, 3-b]pyridine (14, 0.160 g, 0.55 mmol) in tetrahydrofuran (3.0 mL) was added tetra-n-butylammonium fluoride (0.145 g, 0.55 mmol). The reaction was stirred for 1 hour at room temperature. The reaction was poured into water and extracted with ethyl acetate. The organic layer was washed with brine, dried over anhydrous sodium sulfate and filtered. The filtrate was concentrated and purified by silica gel column chromatography eluting with 3percent methanol in dichloromethane to provide light yellow solid (15, 0.07 g, 95percent). MS (ESI)[M+HTo 5-Methyl-l -triisopropylsilanyl-lH-pyrrolo[2, 3-b]pyridine (100, 0.16O g, 0.55 mmol) in tetrahydrofuran (3.0 mL) was added tetra-n-butylammonium fluoride (0.145 g, 0.55 mmol). The reaction was stirred for 1 hour at room temperature. The reaction was poured into water and extracted with ethyl acetate. The organic layer was washed with brine, dried over anhydrous sodium sulfate and filtered. The filtrate was concentrated and purified by silica gel column chromatography eluting with 3percent methanol in dichloromethane to provide light yellow solid (101, 0.07 g, 95percent).

Uses

5-METHYL-1H-PYRROLO[2,3-B]PYRIDINE is an intermediate for preparation of pyrrolopyridine compounds as protein kinase modulators useful in treatment of diseases associated with aberrant activity of protein kinases.

Computed Properties

Molecular Weight:132.16
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:132.068748264
Monoisotopic Mass:132.068748264
Topological Polar Surface Area:28.7
Heavy Atom Count:10
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 5-METHYL-1H-PYRROLO[2,3-B]PYRIDINE

Scan the QR Code to Share

Feedback & Suggestions
Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.