(3S,8aS)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Base Information

Chemical Name:(3S,8aS)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CAS No.:53049-06-2
Molecular Formula:C₁₀H₁₆N₂O₂S
Molecular Weight:228.315
Hs Code.:
DSSTox Substance ID:DTXSID601346730
Nikkaji Number:J866.629F
ChEMBL ID:CHEMBL463747
Mol file:53049-06-2.mol

Synonyms:cyclo(methionylpropyl);53049-06-2;(3S,8aS)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione;Cyclo(-Met-Pro);Cyclo(L-Pro-L-Met-);CHEMBL463747;SCHEMBL16853544;DTXSID601346730;HMS1702I07;MFCD03093468;STL565779;AKOS000739486;BRD-K00331588-001-01-2;(3S,8aS)-3-[2-(methylsulfanyl)ethyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Suppliers and Price of (3S,8aS)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

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

Biosynth Carbosynth
Cyclo(-Met-Pro)
1 g
$ 753.00

Biosynth Carbosynth
Cyclo(-Met-Pro)
500 mg
$ 435.00

Biosynth Carbosynth
Cyclo(-Met-Pro)
250 mg
$ 250.00

Biosynth Carbosynth
Cyclo(-Met-Pro)
100 mg
$ 125.00

Total 12 raw suppliers

Chemical Property of (3S,8aS)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Chemical Property:

Storage Temp.:-15°C
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:228.09324893
Heavy Atom Count:15
Complexity:283

Purity/Quality:

99% ^*data from raw suppliers

Cyclo(-Met-Pro) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CSCCC1C(=O)N2CCCC2C(=O)N1
Isomeric SMILES:CSCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N1

Technology Process of (3S,8aS)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

There total 9 articles about (3S,8aS)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione 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:

: 287731-57-1
(S)-1-((S)-2-Formylamino-4-methylsulfanyl-butyryl)-pyrrolidine-2-carboxylic acid (2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl ester

: 53049-06-2
3-(2-methylthioethyl)hexahydropyrrolo[1,2-a]pyrazin-1,4-dione

: 50-91-9
5-Fluoro-2'-deoxyuridine

Guidance literature:: With phosphate buffer; peptide deformylase from E_. coli; pH=7.4; Enzyme kinetics;
DOI:10.1016/S0960-894X(00)00167-0

Reference yield:

: 287731-58-2
(R)-1-((S)-2-Formylamino-4-methylsulfanyl-butyryl)-pyrrolidine-2-carboxylic acid (2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl ester

: 53049-06-2
(3S,8aR)-3-[2(methylsulfanyl)ethyl]-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

: 50-91-9
5-Fluoro-2'-deoxyuridine

Guidance literature:: With phosphate buffer; peptide deformylase from E_. coli; pH=7.4; Enzyme kinetics;
DOI:10.1016/S0960-894X(00)00167-0

Reference yield:

: 15761-39-4,59433-50-0
1-(tert-butoxycarbonyl)-L-proline

: 53049-06-2
3-(2-methylthioethyl)hexahydropyrrolo[1,2-a]pyrazin-1,4-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) N-methylmorpholine, ClCO₂iBu, 2.) N-methylmorpholine / 1.) THF, -15 deg C, 2 min, 2.) THF, DMF, -15 deg C, 1 h

2: TFA / CH₂Cl₂ / 22 °C

3: ethyl acetate / Heating

With 4-methyl-morpholine; trifluoroacetic acid; isobutyl chloroformate; In dichloromethane; ethyl acetate;
DOI:10.1021/jf9700992