(rac)-benzyl 5-methyl-1,4-diazepane-1-carboxylate hydrochloride

Base Information

• Chemical Name: (rac)-benzyl 5-methyl-1,4-diazepane-1-carboxylate hydrochloride
• CAS No.: 1352834-53-7
• Molecular Formula: C₁₄H₂₀N₂O₂*ClH
• Molecular Weight: 284.786
• Mol file: 1352834-53-7.mol

Synonyms:(rac)-benzyl 5-methyl-1,4-diazepane-1-carboxylate hydrochloride

Chemical Property of (rac)-benzyl 5-methyl-1,4-diazepane-1-carboxylate hydrochloride

Chemical Property:

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (rac)-benzyl 5-methyl-1,4-diazepane-1-carboxylate hydrochloride

There total 2 articles about (rac)-benzyl 5-methyl-1,4-diazepane-1-carboxylate 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%

1-benzyl 4-tert-butyl 5-methyl-1,4-diazepane-1,4-dicarboxylate (1030377-24-2) → (rac)-benzyl 5-methyl-1,4-diazepane-1-carboxylate hydrochloride (1352834-53-7)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 14h;

DOI:10.1002/anie.201104735

Reference yield:

benzyl (2-((tert-butoxycarbonyl)amino)ethyl)(3-oxobutanoyl)carbamate (1030377-23-1) → (rac)-benzyl 5-methyl-1,4-diazepane-1-carboxylate hydrochloride (1352834-53-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride / water; ethyl acetate / 4 h / 0 °C

1.2: 2 h

1.3: 48 h / 20 °C

2.1: hydrogenchloride / methanol / 14 h / 20 °C

With hydrogenchloride; In methanol; water; ethyl acetate;

DOI:10.1002/anie.201104735

Reference yield: 66.0%

2-(2H-1,2,3-triazol-2-yl)-5-methylbenzoic acid (956317-36-5) + (rac)-benzyl 5-methyl-1,4-diazepane-1-carboxylate hydrochloride (1352834-53-7) → benzyl 5-methyl-4-(5-methyl-2-(2H-1,2,3-triazole-2-yl)benzoyl)-1,4-diazepane-1-carboxylate (1352834-54-8)

Guidance literature:

With 4-methyl-morpholine; 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 14h;

DOI:10.1002/anie.201104735

upstream raw materials:

benzyl (2-((tert-butoxycarbonyl)amino)ethyl)(3-oxobutanoyl)carbamate

1-benzyl 4-tert-butyl 5-methyl-1,4-diazepane-1,4-dicarboxylate

Downstream raw materials:

benzyl 5-methyl-4-(5-methyl-2-(2H-1,2,3-triazole-2-yl)benzoyl)-1,4-diazepane-1-carboxylate

(7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone

(4-(5-chlorobenzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone