1H-Pyrrolo[2,3-b]pyridine, 2,3-dihydro-1,3,3-trimethyl-2-methylene-

Base Information

• Chemical Name: 1H-Pyrrolo[2,3-b]pyridine, 2,3-dihydro-1,3,3-trimethyl-2-methylene-
• CAS No.: 41450-85-5
• Molecular Formula: C11H14N2
• Molecular Weight: 174.246
• Hs Code.: 2933990090
• European Community (EC) Number: 255-371-3
• DSSTox Substance ID: DTXSID5068314
• Nikkaji Number: J320.073F
• Wikidata: Q81995031
• Mol file: 41450-85-5.mol

Synonyms:41450-85-5;EINECS 255-371-3;1H-Pyrrolo[2,3-b]pyridine, 2,3-dihydro-1,3,3-trimethyl-2-methylene-;1H-Pyrrolo(2,3-b)pyridine, 2,3-dihydro-1,3,3-trimethyl-2-methylene-;1,3,3-trimethyl-2-methylene-pyrrolo[2,3-b]pyridine;2,3-Dihydro-1,3,3-trimethyl-2-methylene-1H-pyrrolo[2,3-b]pyridine;2,3-Dihydro-1,3,3-trimethyl-2-methylene-1H-pyrrolo(2,3-b)pyridine;SCHEMBL9505759;DTXSID5068314;AKOS040767297;1,3,3-trimethyl-2-methylen-7-azaindoline;1,3,3-trimethyl-2-methylene-1,7-diazaindane;1,3,3-trimethyl-2-methylene-pyrrolo[2,3-b] pyridine;1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

Chemical Property of 1H-Pyrrolo[2,3-b]pyridine, 2,3-dihydro-1,3,3-trimethyl-2-methylene-

Chemical Property:

• Vapor Pressure: 0.0142mmHg at 25°C
• Boiling Point: 257.8°C at 760 mmHg
• Flash Point: 109.7°C
• PSA: 16.13000
• Density: 1.05g/cm³
• LogP: 2.38770
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 174.115698455
• Heavy Atom Count: 13
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=C)N(C2=C1C=CC=N2)C)C

Technology Process of 1H-Pyrrolo[2,3-b]pyridine, 2,3-dihydro-1,3,3-trimethyl-2-methylene-

There total 2 articles about 1H-Pyrrolo[2,3-b]pyridine, 2,3-dihydro-1,3,3-trimethyl-2-methylene- 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:

3-methyl-butan-2-one (563-80-4) + N-methyl-N-(pyridin-2-yl)hydrazine (4231-74-7) → 1,3,3-trimethyl-2-methylene-pyrrolo[2,3-b]pyridine (41450-85-5)

Guidance literature:

With benzene; Erhitzen des Reaktionsprodukts mit ZnCl₂ auf 230grad;

DOI:10.1039/jr9590003202

Reference yield:

N'-[1,2-Dimethyl-prop-(E)-ylidene]-N-methyl-N-pyridin-2-yl-hydrazine → 1,3,3-trimethyl-2-methylene-pyrrolo[2,3-b]pyridine (41450-85-5)

Guidance literature:

Heating;

DOI:10.1080/10587259408037780

Reference yield:

1,3,3-trimethyl-2-methylene-pyrrolo[2,3-b]pyridine (41450-85-5) + C18H19N2O(1+)*ClO4(1-) (915131-79-2) → C28H30N3(1+)*ClO4(1-) (1052689-85-6)

Guidance literature:

With acetic anhydride; at 90 ℃; for 1h;

upstream raw materials:

3-methyl-butan-2-one

N-methyl-N-(pyridin-2-yl)hydrazine

Downstream raw materials:

5-methyl-2-phenyl-4-[(1,3,3-trimethyl-1,3-dihydro-pyrrolo[2,3-b]pyridin-2-yliden)-ethylidene]-2,4-dihydro-pyrazol-3-one

2-(4-dimethylamino-trans-styryl)-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridinium; iodide

C₂₈H₃₀N₃⁽¹⁺⁾*ClO₄^(1-)

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