(1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate

Base Information

Chemical Name:(1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate
CAS No.:174456-77-0
Molecular Formula:C8H13NO2
Molecular Weight:155.197
Hs Code.:2918300090
European Community (EC) Number:809-134-1
Wikidata:Q76139714
Mol file:174456-77-0.mol

Synonyms:174456-77-0;(1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate;Ethyl cis-3-azabicyclo[3.1.0]hexane-6-carboxylate;ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate;ethyl rac-(1R,5S,6r)-3-azabicyclo[3.1.0]hexane-6-carboxylate;(1R,5S)-Ethyl 3-azabicyclo-[3.1.0]hexane-6-carboxylate;ethyl (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylate;1144099-54-6;SCHEMBL522564;SCHEMBL522854;cis-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate;SCHEMBL1390723;MFCD17078897;AKOS006291296;AKOS025147207;CS-0054961;Ethyl 3-azabicyclo3.1.0hexane-6-carboxylate;EN300-866882;(1R,5S,6r)-rel-Ethyl3-azabicyclo[3.1.0]hexane-6-carboxylate;ETHYL (1R,5S,6R)-3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLATE;(1S,5R)-3-aza-bicyclo-[3.1.0]hexane-6-carboxylic acid ethyl ester

Suppliers and Price of (1R,5S,6r)-rel-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
(1R,5S,6r)-rel-Ethyl3-azabicyclo[3.1.0]hexane-6-carboxylate 95+%
1g
$ 597.00

Chemenu
(1R,5S)-Ethyl3-azabicyclo-[3.1.0]hexane-6-carboxylate 95%
1g
$ 564.00

American Custom Chemicals Corporation
ETHYL-3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLATE 95.00%
5MG
$ 502.76

Total 10 raw suppliers

Chemical Property of (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate

Chemical Property:

Vapor Pressure:0.172mmHg at 25°C
Refractive Index:1.493
Boiling Point:212.6oC at760mmHg
PKA:10.49±0.40(Predicted)
Flash Point:82.4oC
PSA：38.33000
Density:1.127g/cm³
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

(1R,5S,6r)-rel-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
Isomeric SMILES:CCOC(=O)C1[C@H]2[C@@H]1CNC2

Technology Process of (1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate

There total 3 articles about (1R,5S,6r)-rel-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:

: 146726-10-5
3-benzyl 6-ethyl (1α,5α,6α)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate

: 174456-77-0
[(1α,5α,6α)-3-aza-bicyclo[3.1.0]hexane]-6-carboxylic acid ethyl ester

Guidance literature:: With hydrogen; 10 % Pd(OH)2/C; In methanol; for 1.5h;

Reference yield:

: (1R,5S,6r)-ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-6-carboxylate

: 174456-77-0
[(1α,5α,6α)-3-aza-bicyclo[3.1.0]hexane]-6-carboxylic acid ethyl ester

Guidance literature:: With hydrogen; palladium(II) hydroxide; In methanol; under 775.743 Torr;

Reference yield:

: 134575-06-7,846024-42-8
ethyl (1α,5α,6α)-3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione-6-carboxylate

: 174456-77-0
[(1α,5α,6α)-3-aza-bicyclo[3.1.0]hexane]-6-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 0 °C

1.2: 0 °C / Reflux

2.1: hydrogen / palladium(II) hydroxide / methanol / 775.74 Torr

With sodium tetrahydroborate; boron trifluoride diethyl etherate; hydrogen; palladium(II) hydroxide; In tetrahydrofuran; methanol;