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

Base Information

• Chemical Name: (S)-1-Boc-2-methyl-[1,4]diazepane
• CAS No.: 194032-32-1
• Molecular Formula: C11H22N2O2
• Molecular Weight: 214.308
• Mol file: 194032-32-1.mol

Synonyms:2-Methyl-2-propanyl (2S)-2-methyl-1,4-diazepane-1-carboxylate;

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

Chemical Property:

• Appearance/Colour: Yellow Oil
• Boiling Point: 288.33 °C at 760 mmHg
• PKA: 10.42±0.40(Predicted)
• Flash Point: 128.177 °C
• PSA: 41.57000
• Density: 0.981 g/cm³
• LogP: 1.87200
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

98%, ^*data from raw suppliers

Hexahydro-2(S)-methyl-4-(t-butoxycarboxyl)-1,4-diazepine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Hexahydro-2(S)-methyl-4-(t-butoxycarboxyl)-1,4-diazepine (cas# 194032-32-1) is a compound useful in organic synthesis.

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

There total 12 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: 86.0%

tert-butyl (S)-3-methyl-4-[(2-nitrophenyl)sulfonyl]-1,4-diazepane-1-carboxylate (949109-36-8) → tert-butyl (S)-3-methyl-1,4-diazepane-1-carboxylate (194032-32-1)

Guidance literature:

With potassium carbonate; thiophenol; In acetonitrile; at 20 ℃; for 18h; Inert atmosphere; Large scale;

DOI:10.1055/s-0032-1316771

Reference yield: 60.7%

(S)-1-benzyl 4-tert-butyl 2-methyl-1,4-diazepane-1,4-dicarboxylate (1360538-91-5) → tert-butyl (S)-3-methyl-1,4-diazepane-1-carboxylate (194032-32-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; mineral oil; at 20 ℃; for 19h; Inert atmosphere;

Reference yield:

tert-butyl (S)-4-benzyl-3-methyl-1,4-diazepane-1-carboxylate (1001401-71-3) → tert-butyl (S)-3-methyl-1,4-diazepane-1-carboxylate (194032-32-1)

Guidance literature:

With hydrogen; palladium dihydroxide; In methanol; ethyl acetate;

upstream raw materials:

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

di-tert-butyl dicarbonate

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

(S)-tert-butyl 3-hydroxypropyl(2-(2-nitrophenylsulfonylamide)propyl)carbamate

Downstream raw materials:

tert-butyl (S)-3-methyl-4-(2-(2H-1,2,3-triazol-2-yl)benzoyl)-1,4-diazepane-1-carboxylate

ripasudil

4-fluoro-5-[[(2S)-hexahydro-2-methyl-1H-1,4-diazepin-1-yl]sulfonyl]isoquinoline hydrochloride