AB-FUBINACA

Base Information

• Chemical Name: AB-FUBINACA
• CAS No.: 1185282-01-2
• Molecular Formula: C20H21FN4O2
• Molecular Weight: 368.411
• Hs Code.: 2933990090
• Mol file: 1185282-01-2.mol

Synonyms:N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-[(4-fluorophenyl)methyl]-1H-indazole-3-carboxamide;

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Chemical Property of AB-FUBINACA

Chemical Property:

• Flash Point: 9℃
• PSA: 90.01000
• Density: 1.30±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 3.55460
• Storage Temp.: ?20°C

Purity/Quality:

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Uses: N-[(1S)-1-(Aminocarbonyl)-2-methylpropyl]-1-[(4-fluorophenyl)methyl]-1H-indazole-3-carboxamide is a indazole derivative developed as a CB1 receptor modulator used in the treatment of CB1-mediated dise ases.

Technology Process of AB-FUBINACA

There total 4 articles about AB-FUBINACA 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: 64.0%

L-valinamide (4540-60-7,20108-78-5) + 1-(4-fluoro-benzyl)-1H-indazole-3-carboxylic acid (50264-63-6) → N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide (1185282-01-2)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 18 - 25 ℃; for 18h;

Reference yield:

methyl 1H-indazole-3-carboxylate (43120-28-1) → N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide (1185282-01-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium tert-butylate / tetrahydrofuran / 25 °C / Cooling with ice

1.2: 5 h / 0 - 20 °C

2.1: sodium hydroxide / methanol / 12 h / 18 - 25 °C

3.1: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 18 h / 18 - 25 °C

With potassium tert-butylate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

Reference yield:

4-Fluorobenzyl bromide (459-46-1) → N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide (1185282-01-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium tert-butylate / tetrahydrofuran / 25 °C / Cooling with ice

1.2: 5 h / 0 - 20 °C

2.1: sodium hydroxide / methanol / 12 h / 18 - 25 °C

3.1: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 18 h / 18 - 25 °C

With potassium tert-butylate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

upstream raw materials:

methyl 1H-indazole-3-carboxylate

4-Fluorobenzyl bromide

methyl 1-(4-fluorobenzyl)-1H-indazole-3-carboxylate

L-valinamide