(S)-1-Boc-2-methyl-[1,4]diazepane

Base Information

• Chemical Name: (S)-1-Boc-2-methyl-[1,4]diazepane
• CAS No.: 1035226-84-6
• Molecular Formula: C₁₁H₂₂N₂O₂
• Molecular Weight: 214.308
• Mol file: 1035226-84-6.mol

Synonyms:(S)-tert-Butyl 2-Methyl-1,4-diazepane-1-carboxylate;(2S)-Hexahydro-2-Methyl-1H-1,4-diazepine-1-carboxylic Acid 1,1-DiMethylethyl Ester;(R)-1-Boc-2-methyl-[1,4]diazepane;1H-1,4-Diazepine-1-carboxylic acid, hexahydro-2-methyl-, 1,1-dimethylethyl ester, (2S)-;(S)-1-Boc-Hexahydro-2-methyl-1,4-diazepine;tert-butyl (S)-2-methyl-1,4-diazepane-1-carboxylate

Chemical Property of (S)-1-Boc-2-methyl-[1,4]diazepane

Chemical Property:

• Boiling Point: 288.3±23.0 °C(Predicted)
• PKA: 10.48±0.40(Predicted)
• PSA: 41.57000
• Density: 0.980±0.06 g/cm3(Predicted)
• LogP: 1.87200
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

97% ^*data from raw suppliers

(2S)-Hexahydro-2-methyl-1H-1,4-diazepine-1-carboxylicAcid1,1-DimethylethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (2S)-Hexahydro-2-methyl-1H-1,4-diazepine-1-carboxylic Acid 1,1-Dimethylethyl Ester is a homopiperazine derivative with potential antibiotic and chemotheraputic properties.

Technology Process of (S)-1-Boc-2-methyl-[1,4]diazepane

There total 4 articles about (S)-1-Boc-2-methyl-[1,4]diazepane 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: 96.0%

4-benzyl 1-tert-butyl (S)-2-methyl-1,4-diazepane-1,4-dicarboxylate (1411975-64-8) → tert-butyl (S)-2-methyl-1,4-diazepane-1-carboxylate (1035226-84-6,1260422-99-8)

Guidance literature:

With 10% Pd/C; hydrogen; In methanol; at 20 ℃; for 15h;

DOI:10.1055/s-0032-1316771

Reference yield:

benzyl (S)-3-methyl-4-[(2-nitrophenyl)sulfonyl]-1,4-diazepane-1-carboxylate (1411975-62-6) → tert-butyl (S)-2-methyl-1,4-diazepane-1-carboxylate (1035226-84-6,1260422-99-8)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate; thiophenol / acetonitrile / 6.5 h / 50 °C / Inert atmosphere

2: potassium carbonate / water; ethanol / 0 - 20 °C / Inert atmosphere

3: 10% Pd/C; hydrogen / methanol / 15 h / 20 °C

With 10% Pd/C; hydrogen; potassium carbonate; thiophenol; In methanol; ethanol; water; acetonitrile;

DOI:10.1055/s-0032-1316771

Reference yield:

(S)-2-methyl-1-[(2-nitrophenyl)sulfonyl]-1,4-diazepane (1360538-89-1) → tert-butyl (S)-2-methyl-1,4-diazepane-1-carboxylate (1035226-84-6,1260422-99-8)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium hydrogencarbonate / water; tetrahydrofuran / 0 - 20 °C / Inert atmosphere

2: potassium carbonate; thiophenol / acetonitrile / 6.5 h / 50 °C / Inert atmosphere

3: potassium carbonate / water; ethanol / 0 - 20 °C / Inert atmosphere

4: 10% Pd/C; hydrogen / methanol / 15 h / 20 °C

With 10% Pd/C; hydrogen; sodium hydrogencarbonate; potassium carbonate; thiophenol; In tetrahydrofuran; methanol; ethanol; water; acetonitrile;

DOI:10.1055/s-0032-1316771

upstream raw materials:

benzyl (S)-3-methyl-4-[(2-nitrophenyl)sulfonyl]-1,4-diazepane-1-carboxylate

(S)-2-methyl-1-[(2-nitrophenyl)sulfonyl]-1,4-diazepane

benzyl (S)-3-methyl-1,4-diazepane-1-carboxylate

4-benzyl 1-tert-butyl (S)-2-methyl-1,4-diazepane-1,4-dicarboxylate