2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

Base Information

• Chemical Name: 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
• CAS No.: 496-13-9
• Molecular Formula: C7H8N2
• Molecular Weight: 120.154
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40364032
• Nikkaji Number: J6.089E
• Wikidata: Q72488762
• Mol file: 496-13-9.mol

Synonyms:2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;496-13-9;1H,2H,3H-pyrrolo[3,4-c]pyridine;1H-PYRROLO[3,4-C]PYRIDINE, 2,3-DIHYDRO-;2,3-Dihydro-1H-pyrrolo-3,4-cpyridine;Merimine;SCHEMBL1118591;DTXSID40364032;AMY30267;MFCD06858479;AKOS006350427;AB30511;1,3-dihydro-2H-pyrrolo[3,4-c]pyridine;BS-16862;FT-0648595;EN300-89883;A827775;J-506990

Chemical Property of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

Chemical Property:

• Vapor Pressure: 0.173mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 212.4 °C at 760 mmHg
• PKA: 6?+-.0.20(Predicted)
• Flash Point: 82.3 °C
• PSA: 24.92000
• Density: 1.115 g/cm³
• LogP: 1.01360
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 120.068748264
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dihydro-1H-pyrrolo[3,4-c]pyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(CN1)C=NC=C2

Technology Process of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

There total 7 articles about 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine 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: 72.0%

ethyl 1H,2H,3H-pyrrolo[3,4-c]pyridine-2-carboxylate (147740-04-3) → 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine (496-13-9)

Guidance literature:

With barium(II) hydroxide; In water; at 120 ℃;

Reference yield:

ethyl 1H,2H,3H-pyrrolo[3,4-c]pyridine-2-carboxylate (147740-04-3) + 8BH2 O + 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (147739-88-6) → 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine (496-13-9)

Guidance literature:

With Ba(OH)2; In water;

Reference yield:

pyrimidine-5-carbaldehyde (10070-92-5) → 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine (496-13-9)

Guidance literature:

Multi-step reaction with 5 steps

1: methanol; sodium tetrahydroborate / 0.5 h / 0 - 10 °C

2: thionyl chloride / dichloromethane / 2 h / 20 °C

3: potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride / toluene / 20 °C / Inert atmosphere

4: 5,5-dimethyl-1,3-cyclohexadiene / 48 h / 150 °C / Inert atmosphere

5: water; barium hydroxide / 120 °C

With methanol; sodium tetrahydroborate; thionyl chloride; barium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; water; potassium hydroxide; In 5,5-dimethyl-1,3-cyclohexadiene; dichloromethane; toluene;

upstream raw materials:

ethyl 1H,2H,3H-pyrrolo[3,4-c]pyridine-2-carboxylate

6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

pyrimidine-5-carbaldehyde

5-(hydroxymethyl)pyrimidine

Downstream raw materials:

C₂₁H₂₂N₆OS

1,3-dihydropyrrolo[3,4-c]pyridin-2-carboxylic acid [5-(3-trifluoromethylbenzenesulfonyl)pyridin-2-ylmethyl]amide

N-[[4-[(1-tetrahydropyran-4-yl-4-piperidyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[4-[[1-(oxetan-3-yl)-4-piperidyl]suIfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

Refernces

• 1、 -. "PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES". . . Retrieved 2013/09/12.
• 2、 -. "ALKYL-AND DI-SUBSTITUTED AMIDO-BENZYL SULFONAMIDE DERIVATIVES". . . Retrieved 2013/09/12.