Hydron;4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;chloride

Base Information

• Chemical Name: Hydron;4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;chloride
• CAS No.: 102676-31-3
• Molecular Formula: C14H13 N3 . Cl H
• Molecular Weight: 259.738
• Mol file: 102676-31-3.mol

Synonyms:AKOS015904431

Chemical Property of Hydron;4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;chloride

Chemical Property:

• Vapor Pressure: 1.95E-09mmHg at 25°C
• Melting Point: 231-233℃
• Boiling Point: 481.7°Cat760mmHg
• Flash Point: 245.1°C
• PSA: 41.61000
• Density: g/cm³
• LogP: 3.48248
• Storage Temp.: room temp
• Solubility.: DMSO: >20mg/mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 259.0876252
• Heavy Atom Count: 18
• Complexity: 311

Purity/Quality:

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

Fadrozole hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 63-22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [H+].C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.[Cl-]
• Description: Fadrozole hydrochloride is a non-steroidal imidazole derivative launched for the treatment of post-menopausal breast cancer. Fadrozole is a potent and specific aromatase inhibitor with neither androgenic nor estrogenic activities due to its structural novelty. Fadrozole exerts its action by coordinating with the iron of the porphyrin nucleus, presumably through the imidazole moiety. This strong binding competes with the binding of molecular oxygen to iron and reversibly inactivates the enzyme. An excellent clinical response rate has been reported for fadrozole with no significant side effects.
• Uses: Fadrozole hydrochloride is a very potent and selective inhibitory effect of the aromatase enzyme system. Antineoplastic.
• Therapeutic Function: Antineoplastic

Technology Process of Hydron;4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;chloride

There total 1 articles about Hydron;4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;chloride 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: 63.0%

5-(3-chloropropyl)-1-<(4-cyanophenyl)methyl>-1H-imidazole (102676-30-2) → (+/-)5-(p-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine hydrochloride (102676-31-3)

Guidance literature:

5-(3-chloropropyl)-1-<(4-cyanophenyl)methyl>-1H-imidazole; With potassium tert-butylate; In tetrahydrofuran; at 0 - 20 ℃;

With hydrogenchloride; In 1,4-dioxane;

DOI:10.1021/jacs.1c00529

Reference yield: 62.0%

1-methoxy-4-methylsulfanyl-benzene (1879-16-9) + (+/-)5-(p-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine hydrochloride (102676-31-3) → 5-(4-(methylthio)phenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; lithium hexamethyldisilazane; 1,2-bis-(dicyclohexylphosphino)ethane; In o-xylene; at 140 ℃; for 24h; Glovebox; Inert atmosphere;

DOI:10.1021/jacs.1c00529

upstream raw materials:

5-(3-chloropropyl)-1-<(4-cyanophenyl)methyl>-1H-imidazole

Refernces