1-tert-butyl 4-methyl azepane-1,4-dicarboxylate

Base Information

• Chemical Name: 1-tert-butyl 4-methyl azepane-1,4-dicarboxylate
• CAS No.: 1259065-07-0
• Molecular Formula: C₁₃H₂₃NO₄
• Molecular Weight: 257.33
• Mol file: 1259065-07-0.mol

Synonyms:1-tert-butyl 4-methyl azepane-1,4-dicarboxylate

Chemical Property of 1-tert-butyl 4-methyl azepane-1,4-dicarboxylate

Chemical Property:

• Boiling Point: 325.6±35.0 °C(Predicted)
• PKA: -2.09±0.40(Predicted)
• Density: 1.071±0.06 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

Methyl1-Boc-hexahydro-1H-azepine-4-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-tert-butyl 4-methyl azepane-1,4-dicarboxylate

There total 2 articles about 1-tert-butyl 4-methyl azepane-1,4-dicarboxylate 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:

di-tert-butyl dicarbonate (24424-99-5) + methyl azepane-4-carboxylate (1211596-98-3,782493-75-8) → 1-tert-butyl 4-methyl azepane-1,4-dicarboxylate (1259065-07-0)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 20 ℃; for 2h;

Reference yield:

(rac)-1-(tert-butoxycarbonyl)azepane-4-carboxylic acid (868284-36-0) + trimethoxonium tetrafluoroborate (420-37-1) → 1-tert-butyl 4-methyl azepane-1,4-dicarboxylate (1259065-07-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 3h;

Reference yield:

nitrostyrene (5153-67-3) + 1-tert-butyl 4-methyl azepane-1,4-dicarboxylate (1259065-07-0) → 1-tert-butyl 4-methyl 4-(2-nitro-1-phenylethyl)azepane-1,4-dicarboxylate (1415236-32-6)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexanes; at -78 - 20 ℃; for 0.666667h;

upstream raw materials:

(rac)-1-(tert-butoxycarbonyl)azepane-4-carboxylic acid

trimethoxonium tetrafluoroborate

di-tert-butyl dicarbonate

methyl azepane-4-carboxylate

Downstream raw materials:

1-tert-butyl 4-methyl 4-(2-nitro-1-phenylethyl)azepane-1,4-dicarboxylate

tert-butyl 1-oxo-4-phenyl-2,8-diazaspiro[4.6]undecane-8-carboxylate

2-methyl-4-phenyl-2,8-diazaspiro[4.6]undecan-1-one

tert-butyl 2-methyl-1-oxo-4-phenyl-2,8-diazaspiro[4.6]undecane-8-carboxylate

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