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

Base Information

• Chemical Name: 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
• CAS No.: 147739-88-6
• Molecular Formula: C7H8N2
• Molecular Weight: 120.154
• Hs Code.: 2933990090
• European Community (EC) Number: 695-798-6
• DSSTox Substance ID: DTXSID80364031
• Nikkaji Number: J2.891.263C
• Wikidata: Q72466122
• ChEMBL ID: CHEMBL4788728
• Mol file: 147739-88-6.mol

Synonyms:6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;147739-88-6;5H,6H,7H-pyrrolo[3,4-b]pyridine;5H-PYRROLO[3,4-B]PYRIDINE, 6,7-DIHYDRO-;MFCD06858478;6,7-Dihydro-5H-pyrrolo3,4-b-pyridine;SCHEMBL103669;CHEMBL4788728;DTXSID80364031;AMY20402;XFA73988;AKOS006283538;AC-2807;PB30869;SB20311;5,7-Dihydro-6H-pyrrolo[3,4-b]pyridine;AS-47657;SY002978;FT-0603822;EN300-75998;F15050;J-518158;W-205667;6 pound not7-Dihydro-5H-pyrrolo[3 pound not4-b]pyridine

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

Chemical Property:

• Vapor Pressure: 0.00173mmHg at 25°C
• Boiling Point: 215.839 °C at 760 mmHg
• PKA: 6.68±0.20(Predicted)
• Flash Point: 84.337 °C
• PSA: 24.92000
• Density: 1.115 g/cm³
• LogP: 1.01360
• 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:

98%,99%, ^*data from raw suppliers

6,7-Dihydro-5h-pyrrolo[3,4-b]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(CN1)N=CC=C2
• Uses: 6,7-Dihydro-5H-pyrrolo[3,4-b]pyridine DiHCl

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

There total 6 articles about 6,7-dihydro-5H-pyrrolo[3,4-b]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: 100.0%

6-benzyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (109966-30-5) → 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (147739-88-6)

Guidance literature:

With hydrogen; 5% palladium over charcoal; In ethanol; at 60 ℃; for 3h; under 2585.81 Torr;

Reference yield: 46.0%

2,3-bis(chloromethyl)-pyridine (45754-12-9) → 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (147739-88-6)

Guidance literature:

With methyl 2-(aminosulfonyl)benzoate; sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1021/op3002728

Reference yield: 25.0%

→ 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (147739-88-6)

Guidance literature:

upstream raw materials:

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

Pyridine-2,3-dicarboxylic acid

dimethyl 2,3-pyridinedicarboxylate

2,3-bis(hydroxymethyl)pyridine hydrochloride

Downstream raw materials:

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

tert-butyl 4-[(4-chloro-2-[5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl]phenyl)methyl]piperazine-1-carboxylate

1-[(4-chloro-2-[5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl]phenyl)methyl]piperazine

2,5-dioxopyrrolidin-1-yl 4-[(4-chloro-2-{5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}phenyl)methyl]piperazine-1-carboxylate

Refernces

• 1、 Van Goethem, Sebastiaan,Van der Veken, Pieter,Dubois, Veronique,Soroka, Anna,Lambeir, Anne-Marie,Chen, Xin,Haemers, Achiel,Scharpe, Simon,De Meester, Ingrid,Augustyns, Koen. "Inhibitors of dipeptidyl peptidase 8 and dipeptidyl peptidase 9. Part 2: Isoindoline containing inhibitors". scheme or table. p. 4159 - 4162. Retrieved 2009/05/07.
• 2、 -. "1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS". Page/Page column 40. . Retrieved 2010/11/25.