tert-butyl 4-cyanoazepane-1-carboxylate

Base Information

• Chemical Name: tert-butyl 4-cyanoazepane-1-carboxylate
• CAS No.: 1259056-34-2
• Molecular Formula: C12H20N2O2
• Molecular Weight: 224.2994
• Hs Code.: 2933990090
• Mol file: 1259056-34-2.mol

Synonyms:tert-butyl 4-cyanoazepane-1-carboxylate;4-Cyano-azepane-1-carboxylic acid tert-butyl ester

Chemical Property of tert-butyl 4-cyanoazepane-1-carboxylate

Chemical Property:

• Boiling Point: 342.3±35.0 °C(Predicted)
• PKA: -2.73±0.40(Predicted)
• PSA: 53.33000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 2.48508

Purity/Quality:

97% ^*data from raw suppliers

N-Boc-4-Cyanoazepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-butyl 4-cyanoazepane-1-carboxylate

There total 1 articles about tert-butyl 4-cyanoazepane-1-carboxylate 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: 57.0%

tert-butyl 4-oxoazepane-1-carboxylate (188975-88-4) + [(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) → tert-butyl 4-cyanoazepane-1-carboxylate (1259056-34-2)

Guidance literature:

With potassium tert-butylate; In 1,2-dimethoxyethane; N,N-dimethyl-formamide; tert-butyl alcohol; at 0 - 20 ℃; for 3h;

Reference yield:

tert-butyl 4-cyanoazepane-1-carboxylate (1259056-34-2) → tert-butyl 4-(aminomethyl)azepane-1-carboxylate (1369353-14-9)

Guidance literature:

With ammonium hydroxide; hydrogen; In methanol; at 20 ℃; for 12h; under 1140.08 Torr;

Reference yield:

tert-butyl 4-cyanoazepane-1-carboxylate (1259056-34-2) → (rac)-1-(tert-butoxycarbonyl)azepane-4-carboxylic acid (868284-36-0)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃;

upstream raw materials:

tert-butyl 4-oxoazepane-1-carboxylate

[(p-methylphenyl)sulfonylmethyl]isonitrile

Downstream raw materials:

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

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

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