1H-Azepine, 2,3,6,7-tetrahydro-, hydrochloride (1:1)

Base Information

• Chemical Name: 1H-Azepine, 2,3,6,7-tetrahydro-, hydrochloride (1:1)
• CAS No.: 1263282-12-7
• Molecular Formula: C₆H₁₁N*ClH
• Molecular Weight: 133.621
• Hs Code.: 2933990090
• Mol file: 1263282-12-7.mol

Synonyms:EOS-62237;2,3,6,7-tetrahydro-1H-Azepine hydrochloride;1H-Azepine, 2,3,6,7-tetrahydro-, hydrochloride (1:1);2,3,6,7-tetrahydro-1H-azepine hydrochloride(WXC08754S1)

Chemical Property of 1H-Azepine, 2,3,6,7-tetrahydro-, hydrochloride (1:1)

Chemical Property:

• PSA: 12.03000
• LogP: 2.05680

Purity/Quality:

99% ^*data from raw suppliers

2,3,6,7-Tetrahydro-1H-azepineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Azepine, 2,3,6,7-tetrahydro-, hydrochloride (1:1)

There total 3 articles about 1H-Azepine, 2,3,6,7-tetrahydro-, hydrochloride (1:1) 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: 95.0%

(Z)-2,3,6,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester (317336-73-5) → (Z)-2,3,6,7-tetrahydro-1H-azepine hydrochloride (1263282-12-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; for 3.75h; Cooling with ice;

DOI:10.1038/nature24006

Reference yield:

di(but-3-en-1-yl)amine (18940-41-5) → (Z)-2,3,6,7-tetrahydro-1H-azepine hydrochloride (1263282-12-7)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / tetrahydrofuran / 0 - 20 °C

2: Hoveyda-Grubbs catalyst second generation / dichloromethane / 48 h / 20 °C

3: hydrogenchloride / methanol; 1,4-dioxane / 3.83 h / 20 °C / Cooling with ice

With hydrogenchloride; Hoveyda-Grubbs catalyst second generation; triethylamine; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane;

DOI:10.1021/acs.jmedchem.8b01857

Reference yield:

tert-butyl di(but-3-en-1-yl)carbamate (1211531-07-5) → (Z)-2,3,6,7-tetrahydro-1H-azepine hydrochloride (1263282-12-7)

Guidance literature:

Multi-step reaction with 2 steps

1: Hoveyda-Grubbs catalyst second generation / dichloromethane / 48 h / 20 °C

2: hydrogenchloride / methanol; 1,4-dioxane / 3.83 h / 20 °C / Cooling with ice

With hydrogenchloride; Hoveyda-Grubbs catalyst second generation; In 1,4-dioxane; methanol; dichloromethane;

DOI:10.1021/acs.jmedchem.8b01857

upstream raw materials:

(Z)-2,3,6,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester

di(but-3-en-1-yl)amine

tert-butyl di(but-3-en-1-yl)carbamate

Downstream raw materials:

5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide