(3s,8As)-3-benzyloctahydropyrrolo[1,2-a]pyrazine

Base Information

Chemical Name:(3s,8As)-3-benzyloctahydropyrrolo[1,2-a]pyrazine
CAS No.:816429-58-0
Molecular Formula:C₁₄H₂₀N₂
Molecular Weight:216.326
Hs Code.:2933998090
European Community (EC) Number:688-053-1
Wikidata:Q76511749
Mol file:816429-58-0.mol

Synonyms:816429-58-0;(3s,8as)-3-benzyloctahydropyrrolo[1,2-a]pyrazine;(S,S)-3-BENZYL-1,4-DIAZABICYCLO[4.3.0]NONANE;(3S,8aS)-3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;(3S,6S)-3-Benzyl-1,4-diazabicyclo[4.3.0]nonane;MFCD04972244;AKOS025295786;CS-0455974;rel-(3S,8AS)-3-Benzyloctahydropyrrolo[1,2-a]pyrazine;(S,S)-3-benzyl-1,4-diazabicyclo[4.3.0]nonane, AldrichCPR

Suppliers and Price of (3s,8As)-3-benzyloctahydropyrrolo[1,2-a]pyrazine

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

TRC
(S,S)-3-Benzyl-1,4-diazabicyclo[4.3.0]nonane
100mg
$ 155.00

SynQuest Laboratories
(3S,6S)-3-Benzyl-1,4-diazabicyclo[4.3.0]nonane
1 g
$ 368.00

American Custom Chemicals Corporation
3-BENZYL OCTAHYDRO PYRROLO-[1,2-A]-PYRAZINE 95.00%
5MG
$ 496.65

Total 9 raw suppliers

Chemical Property of (3s,8As)-3-benzyloctahydropyrrolo[1,2-a]pyrazine

Chemical Property:

Vapor Pressure:0.000131mmHg at 25°C
Boiling Point:334°C at 760 mmHg
Flash Point:139.7°C
PSA：15.27000
Density:1.08g/cm³
LogP:1.93200
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:216.162648646
Heavy Atom Count:16
Complexity:223

Purity/Quality:

99% ^*data from raw suppliers

(S,S)-3-Benzyl-1,4-diazabicyclo[4.3.0]nonane ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi,T
Statements: 25
Safety Statements: 45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2CNC(CN2C1)CC3=CC=CC=C3
Isomeric SMILES:C1C[C@H]2CN[C@H](CN2C1)CC3=CC=CC=C3

Technology Process of (3s,8As)-3-benzyloctahydropyrrolo[1,2-a]pyrazine

There total 12 articles about (3s,8As)-3-benzyloctahydropyrrolo[1,2-a]pyrazine 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: 62.0%

: 5654-85-3,14705-60-3,26488-24-4,32021-26-4,43041-16-3,43041-30-1,3705-26-8
(3S,8aS)-3-benzyloctahydropyrrolo[1,2-a]pyrazine-1,4-dione

: 914771-44-1,816429-58-0
(3S,8aS)-3-benzyloctahydropyrrolo[1,2-a]pyrazine

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; Reflux;
DOI:10.1039/b904254g

Reference yield:

: 26488-24-4
(3R,8aS)-hexahydro-3-(phenylmethyl)pyrrolo[1,2-a]pyrazine-1,4-dione

: 914771-45-2,816429-58-0
(3R,8aS)-3-Benzyl-octahydro-pyrrolo[1,2-a]pyrazine

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran;
DOI:10.1016/j.bmcl.2006.07.015

Reference yield:

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: 914771-44-1,816429-58-0
(3S,8aS)-3-benzyloctahydropyrrolo[1,2-a]pyrazine

Guidance literature:: Multi-step reaction with 4 steps

1: BOP; HOBt; DIEA / dimethylformamide

2: TFA

3: TEA / methanol

4: LiAlH₄ / tetrahydrofuran

With lithium aluminium tetrahydride; TEA; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2006.07.015