tert-butyl (3S)-3-aMinoazepane-1-carboxylate

Base Information

• Chemical Name: tert-butyl (3S)-3-aMinoazepane-1-carboxylate
• CAS No.: 625471-04-7
• Molecular Formula: C11H22N2O2
• Molecular Weight: 214.308
• Hs Code.: 2933990090
• Mol file: 625471-04-7.mol

Synonyms:(S)-3-amino-azepane-1-carboxylic acid tert-butyl ester;(S)-3-AMINO-1-BOC-AZEPANE;(3S)-3-Aminoazepane-1-carboxylic Acid tert-Butyl Ester;tert-Butyl (3S)-3-aminoazepane-1-carboxylate;

Chemical Property of tert-butyl (3S)-3-aMinoazepane-1-carboxylate

Chemical Property:

• Boiling Point: 296.5±33.0 °C(Predicted)
• PKA: 10.35±0.20(Predicted)
• PSA: 55.56000
• Density: 1.020
• LogP: 2.37290
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

99%, ^*data from raw suppliers

(3S)-3-Aminoazepane-1-carboxylicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (3S)-3-Aminoazepane-1-carboxylic Acid tert-Butyl Ester is used in the preparation of ureidothiophenes, as CHK1 kinase inhibitors for treating neoplasm.

Technology Process of tert-butyl (3S)-3-aMinoazepane-1-carboxylate

There total 1 articles about tert-butyl (3S)-3-aMinoazepane-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: 54.0%

tert-butyl 2,5-dioxopyrrolidin-1-yl carbonate (13139-12-3) + (S)-3-aminohexahydro-2-azepine (107885-67-6,124932-43-0) → (3S)-3-amino-azepane-1-carboxylic acid tert-butyl ester (625471-04-7)

Guidance literature:

In dichloromethane; at -78 - 20 ℃; for 4.16667 - 4.25h;

Reference yield: 71.0%

(3S)-3-amino-azepane-1-carboxylic acid tert-butyl ester (625471-04-7) + 2-amino-5-phenylthiophene-3-carboxylic acid (14770-84-4) → tert-butyl (3S)-3-{[(2-amino-5-phenyl-3-thienyl)carbonyl]amino}azepane-1-carboxylate (860354-49-0)

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In DMF (N,N-dimethyl-formamide); at 18 - 25 ℃;

Reference yield: 65.0%

(3S)-3-amino-azepane-1-carboxylic acid tert-butyl ester (625471-04-7) + 6-(3-chloro-4-morpholinophenyl)pyrazine-2-carbonyl azide → 1-[(3S)-azepan-3-yl]-3-[6-(3-chloro-4-morpholinophenyl)pyrazin-2-yl]urea

Guidance literature:

6-(3-chloro-4-morpholinophenyl)pyrazine-2-carbonyl azide; In toluene; for 0.166667h; Reflux;

(3S)-3-amino-azepane-1-carboxylic acid tert-butyl ester; In toluene; at 75 ℃; for 0.75h; Inert atmosphere;

With hydrogenchloride; In methanol; diethyl ether;

upstream raw materials:

tert-butyl 2,5-dioxopyrrolidin-1-yl carbonate

(S)-3-aminohexahydro-2-azepine

Downstream raw materials:

tert-butyl (3S)-3-{[(2-amino-5-{4-[2-(diethylamino)ethoxy]phenyl}-3-thienyl)carbonyl]amino}piperidine-1-carboxylate

tert-butyl (3S)-3-{[(2-amino-5-phenyl-3-thienyl)carbonyl]amino}azepane-1-carboxylate

tert-butyl (3S)-3-{[(2-amino-5-phenyl-3-thienyl)carbonyl]amino}piperidine-1-carboxylate

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