(2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate

Base Information

Chemical Name:(2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate
CAS No.:93779-31-8
Molecular Formula:C15H20ClNO2
Molecular Weight:245.321
Hs Code.:2933990090
European Community (EC) Number:618-976-7
DSSTox Substance ID:DTXSID30529012
Nikkaji Number:J486.329A
Wikidata:Q72444258
Mol file:93779-31-8.mol

Synonyms:93779-31-8;(2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate;benzyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;Benzyl (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylate;(S,S,S)-2-Azabicyclo[3,3,0]-octane-carboxylic acid benzylester hydrochloride;SCHEMBL2001189;DTXSID30529012;KEDWLCOPRDSQBB-IHRRRGAJSA-N;(2S,3aS,6aS)-Benzyloctahydrocyclopenta[b]pyrrole-2-carboxylate;129939-67-9;AKOS015998608;EN300-383913;J-501024;benzyl (1S,3S,5S)-2-azabicyclo[3.3.0]-octane-3-carboxylate;benzyl (lS,3S,5S)-2-azabicyclo[3.3.0]octane-3-carboxylate;(S,S,S)-2-Azabicyclo[3,3,0]octane-3-carboxylic acid benzyl ester hydrochloride

Suppliers and Price of (2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-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
(2S,3aS,6aS)-Benzyloctahydrocyclopenta[b]pyrrole-2-carboxylate 95+%
10g
$ 377.00

Chemenu
(2S,3aS,6aS)-Benzyloctahydrocyclopenta[b]pyrrole-2-carboxylate 95%
10g
$ 356.00

Biosynth Carbosynth
(S)-Benzyl endo, cis-2-azabicyclo [3,3,0]octanecarboxylate
250 mg
$ 247.50

Biosynth Carbosynth
(S)-Benzyl endo, cis-2-azabicyclo [3,3,0]octanecarboxylate
100 mg
$ 124.00

Biosynth Carbosynth
(S)-Benzyl endo, cis-2-azabicyclo [3,3,0]octanecarboxylate
50 mg
$ 71.00

Biosynth Carbosynth
(S)-Benzyl endo, cis-2-azabicyclo [3,3,0]octanecarboxylate
500 mg
$ 430.00

Biosynth Carbosynth
(S)-Benzyl endo, cis-2-azabicyclo [3,3,0]octanecarboxylate
1 g
$ 750.00

American Custom Chemicals Corporation
(S,S,S)-2-AZABICYCLO[3,3,0]-OCTANE-CARBOXYLIC ACID BENZYLESTER HYDROCHLORIDE 95.00%
10G
$ 1589.28

American Custom Chemicals Corporation
(S,S,S)-2-AZABICYCLO[3,3,0]-OCTANE-CARBOXYLIC ACID BENZYLESTER HYDROCHLORIDE 95.00%
5G
$ 1145.76

American Custom Chemicals Corporation
(S,S,S)-2-AZABICYCLO[3,3,0]-OCTANE-CARBOXYLIC ACID BENZYLESTER HYDROCHLORIDE 95.00%
1G
$ 729.96

Total 74 raw suppliers

Chemical Property of (2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate

Chemical Property:

Appearance/Colour:white to light yellow crystal powder
Vapor Pressure:1.76E-06mmHg at 25°C
Melting Point:180-182 °C
Boiling Point:390.5 °C at 760 mmHg
PKA:9.31±0.40(Predicted)
Flash Point:190 °C
PSA：38.33000
Density:1.128±0.06 g/cm3(Predicted)
LogP:2.58920
Storage Temp.:2-8°C(protect from light)
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:245.141578849
Heavy Atom Count:18
Complexity:299

Purity/Quality:

99% ^*data from raw suppliers

(2S,3aS,6aS)-Benzyloctahydrocyclopenta[b]pyrrole-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2CC(NC2C1)C(=O)OCC3=CC=CC=C3
Isomeric SMILES:C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)OCC3=CC=CC=C3

Technology Process of (2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate

There total 4 articles about (2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-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:

: 87269-87-2,87679-25-2,88547-79-9,93779-29-4,94569-19-4,138877-09-5
benzyl (2S,3AS,6AS)-octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride

: 93779-31-8
benzyl (1S,3S,5S)-2-azabicyclo<3.3.0>octane-3-carboxylate

Guidance literature:: With sodium hydrogencarbonate; In water; toluene; at 20 ℃; for 0.333333 - 0.666667h; Product distribution / selectivity;