(2-Chloro-6-pyrrol-1-ylphenyl)methanamine;hydrochloride

Base Information

• Chemical Name: (2-Chloro-6-pyrrol-1-ylphenyl)methanamine;hydrochloride
• CAS No.: 418762-90-0
• Molecular Formula: C₁₁H₁₁ClN₂*ClH
• Molecular Weight: 243.136
• Mol file: 418762-90-0.mol

Synonyms:SCHEMBL3453812

Chemical Property of (2-Chloro-6-pyrrol-1-ylphenyl)methanamine;hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 242.0377538
• Heavy Atom Count: 15
• Complexity: 180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CN(C=C1)C2=C(C(=CC=C2)Cl)CN.Cl

Technology Process of (2-Chloro-6-pyrrol-1-ylphenyl)methanamine;hydrochloride

There total 7 articles about (2-Chloro-6-pyrrol-1-ylphenyl)methanamine;hydrochloride 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: 97.0%

2-chloro-6-(1H-pyrrol-1-yl)benzonitrile (418762-89-7) → 2-(1H-pyrrol-1-yl)benzenemethanamine hydrochloride salt (418762-90-0)

Guidance literature:

2-chloro-6-(1H-pyrrol-1-yl)benzonitrile; With dimethylsulfide borane complex; In tetrahydrofuran; at 20 ℃; for 12h; Reflux;

With hydrogenchloride; In tetrahydrofuran; water; for 0.5h; Product distribution / selectivity; Reflux;

Reference yield: 71.0%

C16H19ClN2O2 → 2-(1H-pyrrol-1-yl)benzenemethanamine hydrochloride salt (418762-90-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 50 ℃; for 14h; Inert atmosphere;

DOI:10.1021/jacs.9b06277

Reference yield:

2-chloro-6-(1H-pyrrol-1-yl)benzonitrile (418762-89-7) → 2-(1H-pyrrol-1-yl)benzenemethanamine hydrochloride salt (418762-90-0) + 1-(2-aminomethylphenyl)-1H-pyrroloe hydrochloride (33265-72-4)

Guidance literature:

2-chloro-6-(1H-pyrrol-1-yl)benzonitrile; With lithium aluminium tetrahydride; In tetrahydrofuran; for 2h; Cooling with ice; Reflux;

With water; rochelle salt; In tetrahydrofuran; ethyl acetate; at 20 ℃; for 2h; Cooling with ice;

With hydrogenchloride; In 1,4-dioxane; diethyl ether;

upstream raw materials:

2-chloro-6-(1H-pyrrol-1-yl)benzonitrile

2-amino-6-chlorobenzonitrile

Downstream raw materials:

C₂₀H₁₇ClF₂N₂O

7-chloro-4-[4-(1,1-difluoroethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]-benzodiazepine hydrochloride

C₂₀H₁₆ClF₃N₂O

7-chloro-4-[3-(1,1-difluoroethyl)-4-fluorophenyl]-6H-pyrrolo[1,2-a][1,4]benzodiazepine

Refernces

• 1、 -. "NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES". Paragraph 0609; 0610. . Retrieved 2014/03/21.
• 2、 -. "NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]- BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES". Page/Page column 50; 51. . Retrieved 2012/07/13.