Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate

Base Information

Chemical Name:Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate
CAS No.:179236-79-4
Molecular Formula:C8H13 N O2
Molecular Weight:155.197
Hs Code.:2933990090
DSSTox Substance ID:DTXSID101200527
Mol file:179236-79-4.mol

Synonyms:Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate;179236-79-4;3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID, ETHYL ESTER;MFCD08705926;3-Azabicyclo[3.1.0]hexane-6-carboxylicacid,ethylester(9CI);SCHEMBL363801;LLYQBDZAXNIXQC-UHFFFAOYSA-N;DTXSID101200527;AC2310;AKOS005264109;AB48701;AS-70107;SY233379;EN300-266845;ethyl 3-aza bicyclo[3.1.0]hexane-6-carboxylate;ethyl 3-aza-bicyclo[3.1.0]hexane-6-carboxylate;ethyl(3-azabicyclo[3.1.0]hex-6-yl)carboxylate;A912015;ethyl (3-azabicyclo[3.1.0]hex-6-yl)carboxylate;ETHYL3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLATE

Suppliers and Price of Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Ethyl3-azabicyclo[3.1.0]hexane-6-carboxylate 95+%
1g
$ 614.00

Chemenu
ethyl3-azabicyclo[3.1.0]hexane-6-carboxylate 95%
1g
$ 580.00

AK Scientific
Ethyl3-azabicyclo[3.1.0]hexane-6-carboxylate
5g
$ 2760.00

Total 8 raw suppliers

Chemical Property of Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate

Chemical Property:

Boiling Point:212.6±33.0 °C(Predicted)
PKA:10.49±0.40(Predicted)
PSA：38.33000
Density:1.127±0.06 g/cm3(Predicted)
LogP:0.34370
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:155.094628657
Heavy Atom Count:11
Complexity:171

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-azabicyclo[3.1.0]hexane-6-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1C2C1CNC2

Technology Process of Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate

There total 3 articles about Ethyl 3-azabicyclo[3.1.0]hexane-6-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: 96.0%

: 186376-30-7
ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-6-carboxylate

: 179236-79-4
ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate

Guidance literature:: With hydrogen; palladium(II) hydroxide; In methanol; at 20 ℃; for 2h;

Reference yield:

: 146726-13-8,846024-42-8
3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione-6-carboxylic acid ethyl ester

: 179236-79-4
ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: dimethylsulfide borane complex / tetrahydrofuran / 6 h / 0 °C / Reflux

2: hydrogen; palladium(II) hydroxide / methanol / 2 h / 20 °C

With dimethylsulfide borane complex; hydrogen; palladium(II) hydroxide; In tetrahydrofuran; methanol;

Reference yield:

: 134575-05-6
ethyl 5-benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

: 179236-79-4
ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1.1: 1 h / 190 °C

2.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 2.5 h / -15 - 35 °C / Inert atmosphere

3.1: palladium 10% on activated carbon; ammonium formate / methanol / 1.5 h / 50 °C

3.2: 1 h

With sodium tetrahydroborate; palladium 10% on activated carbon; boron trifluoride diethyl etherate; ammonium formate; In tetrahydrofuran; methanol;