Tert-butyl 5-azaspiro[2.4]heptan-7-ylcarbamate

Base Information

• Chemical Name: Tert-butyl 5-azaspiro[2.4]heptan-7-ylcarbamate
• CAS No.: 152513-88-7
• Molecular Formula: C11H20N2O2
• Molecular Weight: 212.292
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00565624
• Mol file: 152513-88-7.mol

Synonyms:152513-88-7;tert-butyl 5-azaspiro[2.4]heptan-7-ylcarbamate;7-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane;tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;(5-Aza-spiro[2.4]hept-7-yl)-carbamic acid tert-butyl ester;carbamic acid, 5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9ci);TERT-BUTYL N-{5-AZASPIRO[2.4]HEPTAN-7-YL}CARBAMATE;(R)-7-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane;tert-butyl (5-azaspiro[2.4]heptan-7-yl)carbamate;MFCD09955395;FD6022;(S)-7-(BOC-AMINO)-5-AZASPIRO[2.4]HEPTANE;Carbamic acid, 5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester;SCHEMBL3186912;DTXSID00565624;CGEBPOMWRHSMLI-UHFFFAOYSA-N;MFCD11519121;AKOS015900742;PB13205;PB19151;SB15326;7-(Boc-amino)-5-azaspiro[2.4]heptane;AS-49268;SY032696;SY110236;A3352;CS-0088396;EN300-255875;7-tert-Butoxycarbonylamino-5-azaspiro[2,4]heptane;7-tert-butyloxycarbonylamino-5-azaspiro[2.4]heptane;rac-tert-butyl 5-azaspiro[2.4]heptan-7-ylcarbamate;Z1505706411;Carbamicacid,(7S)-5-azaspiro[2.4]hept-7-yl-,1,1-dimethylethylester(9CI);Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]-benzopyrano-[2,3-b]pyridine-3-carboxylate

Chemical Property of Tert-butyl 5-azaspiro[2.4]heptan-7-ylcarbamate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 329.029 °C at 760 mmHg
• PKA: 12.39±0.40(Predicted)
• Flash Point: 152.791 °C
• PSA: 53.85000
• Density: 1.099 g/cm³
• LogP: 1.79630
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 212.152477885
• Heavy Atom Count: 15
• Complexity: 266

Purity/Quality:

98%min ^*data from raw suppliers

(5-Aza-spiro[2.4]hept-7-yl)-carbamicacidtert-butylester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1CNCC12CC2

Technology Process of Tert-butyl 5-azaspiro[2.4]heptan-7-ylcarbamate

There total 7 articles about Tert-butyl 5-azaspiro[2.4]heptan-7-ylcarbamate 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: 100.0%

5-phenylmethyl-N-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptane-7-amine (129306-13-4,1432056-70-6) → (7S)-5-aza-7-tert-butoxycarbonylaminospiro[2.4]heptan (152513-88-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; water; at 20 ℃; for 24h;

Reference yield:

C19H26N2O4 → (7S)-5-aza-7-tert-butoxycarbonylaminospiro[2.4]heptan (152513-88-7)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; for 1h; under 760.051 Torr;

Reference yield:

(7E)-5-benzyl-7-(hydroxyimino)-5-azaspiro[2.4]heptan-4-one (129306-06-5) → (7S)-5-aza-7-tert-butoxycarbonylaminospiro[2.4]heptan (152513-88-7)

Guidance literature:

Multi-step reaction with 3 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 5.5 h / 0 - 60 °C

2: triethylamine / tetrahydrofuran / 2 h / 20 °C

3: hydrogen; palladium 10% on activated carbon / water; methanol / 24 h / 20 °C

With lithium aluminium tetrahydride; palladium 10% on activated carbon; hydrogen; triethylamine; In tetrahydrofuran; methanol; water;

upstream raw materials:

5-phenylmethyl-N-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptane-7-amine

(7E)-5-benzyl-7-(hydroxyimino)-5-azaspiro[2.4]heptan-4-one

5-benzyl-5-azaspiro[2.4]heptane-7-amine

5-benzyl-5-azaspiro[2.4]heptane-4,7-dione

Downstream raw materials:

(2S,4S)-2-[7-(t-butyloxycarbonylamino-5-azaspiro[2.4]heptane)carbonyl]-4-tritylthio-1-(allyloxycarbonyl)pyrrolidine

Refernces

• 1、 -. "Substituted alkynyl pyridine compounds and methods of use thereof, and use thereof". Paragraph 0487; 0488; 0500; 0501. . Retrieved 2016/10/08.
• 2、 Park, Hyeong Beom,Jo, Nam Hyun,Hong, Joon Hee,Chei, Jung Hoon,Cho, Jung-Hyuck,Yoo, Kyung Ho,Oh, Chang-Hyun. "Synthesis and In-Vitro Activity of Novel 1β-Methylcarbapenems Having Spiro[2,4]heptane Moieties". . p. 530 - 537. Retrieved 2008/12/21.