Ethyl 3-Boc-3-azabicyclo[3.1.0]hexane-1-carboxylate

Base Information

• Chemical Name: Ethyl 3-Boc-3-azabicyclo[3.1.0]hexane-1-carboxylate
• CAS No.: 1204820-62-1
• Molecular Formula: C₁₃H₂₁NO₄
• Molecular Weight: 255.314
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70693145
• Mol file: 1204820-62-1.mol

Synonyms:1204820-62-1;Ethyl 3-Boc-3-azabicyclo[3.1.0]hexane-1-carboxylate;3-tert-Butyl 1-ethyl 3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate;3-Azabicyclo[3.1.0]hexane-1,3-dicarboxylic acid, 3-(1,1-dimethylethyl) 1-ethyl;3-O-tert-butyl 1-O-ethyl 3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate;MFCD19443438;Ethyl 3-Boc-3-azabicyclo-[3.1.0]hexane-1-carboxylate;3-Azabicyclo[3.1.0]hexane-1,3-dicarboxylic acid, 3-(1,1-dimethylethyl) 1-ethyl ester;SCHEMBL3228538;DTXSID70693145;AMY34099;3-Azabicyclo[3.1.0]hexane-1,3-dicarboxylicacid,3-(1,1-dimethylethyl)1-ethyl;AKOS015995256;PB34998;AS-33847;SY098081;CS-0049493;A892182;J-511740;3-tert-butyl 1-ethyl 3-azabicyclo[3.1.0]hexan-1,3-dicarboxylate;3-tert-Butyl1-ethyl3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate;3-azabicyclo[3.1.0]hexane-1,3-dicarboxylic acid 3-tert-butyl 1-ethyl ester

Chemical Property of Ethyl 3-Boc-3-azabicyclo[3.1.0]hexane-1-carboxylate

Chemical Property:

• PSA: 55.84000
• LogP: 1.74440
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 255.14705815
• Heavy Atom Count: 18
• Complexity: 374

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl3-Boc-3-azabicyclo[3.1.0]hexane-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C12CC1CN(C2)C(=O)OC(C)(C)C

Technology Process of Ethyl 3-Boc-3-azabicyclo[3.1.0]hexane-1-carboxylate

There total 8 articles about Ethyl 3-Boc-3-azabicyclo[3.1.0]hexane-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: 98.0%

di-tert-butyl dicarbonate (24424-99-5) + ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate (63618-07-5) → 3-tert-butyl 1-ethyl 3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate (1204820-62-1)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 2h; under 760.051 Torr;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + CH2O2*C8H13NO2 (1364077-55-3) → 3-tert-butyl 1-ethyl 3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate (1204820-62-1)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 0.75h; Cooling with ice;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + ethyl 3-azabicyclo[3.1.0]hexane-1-carboxylate methanesulfonate (1364078-81-8) → 3-tert-butyl 1-ethyl 3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate (1204820-62-1)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; at 20 ℃; for 1h;

upstream raw materials:

di-tert-butyl dicarbonate

ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate

(R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid ethyl ester

propynoic acid ethyl ester

Refernces

• 1、 -. "COGNITION ENHANCING COMPOUNDS AND COMPOSITIONS, METHODS OF MAKING, AND METHODS OF TREATING". . . Retrieved 2012/03/27.
• 2、 -. "PIPERIDINE BASED UREAS AS NK1 ANTAGONISTS". Page/Page column 34-35. . Retrieved 2010/04/03.