1-tert-butyl azepane-1,4-dicarboxylate 4-ethyl ester

Base Information

• Chemical Name: 1-tert-butyl azepane-1,4-dicarboxylate 4-ethyl ester
• CAS No.: 912444-90-7
• Molecular Formula: C14H25NO4
• Molecular Weight: 271.3526
• Hs Code.: 2933990090
• Mol file: 912444-90-7.mol

Synonyms:1-tert-butyl azepane-1,4-dicarboxylate 4-ethyl ester;1H-Azepine-1,4-dicarboxylic acid, hexahydro-, 1-(1,1-diMethylethyl) 4-ethyl ester;1-tert-Butyl 4-ethyl azepane-1,4-dicarboxylate

Chemical Property of 1-tert-butyl azepane-1,4-dicarboxylate 4-ethyl ester

Chemical Property:

• Boiling Point: 341.6±35.0 °C(Predicted)
• PKA: -2.04±0.40(Predicted)
• PSA: 55.84000
• Density: 1.057±0.06 g/cm3(Predicted)
• LogP: 2.52460
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

1-tert-Butyl4-ethylazepane-1,4-dicarboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-tert-butyl azepane-1,4-dicarboxylate 4-ethyl ester

There total 2 articles about 1-tert-butyl azepane-1,4-dicarboxylate 4-ethyl ester 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: 55.0%

1-(tert-butyl) 4-ethyl 2,3,6,7-tetrahydro-1H-azepine-1,4-dicarboxylate (912444-89-4) → 1-(tertbutyl) 4-ethyl 2,3,6,7-tetrahydro-1H-azepine-1,4-dicarboxylate (912444-90-7)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol;

Reference yield:

→ 1-(tertbutyl) 4-ethyl 2,3,6,7-tetrahydro-1H-azepine-1,4-dicarboxylate (912444-90-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; for 3h; under 760.051 Torr;

Reference yield: 100.0%

1-(tertbutyl) 4-ethyl 2,3,6,7-tetrahydro-1H-azepine-1,4-dicarboxylate (912444-90-7) → tert-butyl 4-(hydroxymethyl)azepane-1-carboxylate (1065608-51-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.5h; Cooling with ice;

upstream raw materials:

1-(tert-butyl) 4-ethyl 2,3,6,7-tetrahydro-1H-azepine-1,4-dicarboxylate

Downstream raw materials:

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

tert-butyl 4-(hydroxymethyl)azepane-1-carboxylate

tert-butyl 4-(aminomethyl)azepane-1-carboxylate

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