(5S,8S,10aR,Z)-Methyl 5-((tert-butoxycarbonyl)amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate

Base Information

Chemical Name:(5S,8S,10aR,Z)-Methyl 5-((tert-butoxycarbonyl)amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate
CAS No.:1071993-04-8
Molecular Formula:C₁₆H₂₅N₃O₅
Molecular Weight:339.392
Hs Code.:
DSSTox Substance ID:DTXSID10705130
Mol file:1071993-04-8.mol

Synonyms:1071993-04-8;(5S,8S,10aR,Z)-Methyl 5-((tert-butoxycarbonyl)amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate;methyl (5S,8S,10aR)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4,5,8,9,10,10a-hexahydro-1H-pyrrolo[1,2-a][1,5]diazocine-8-carboxylate;SCHEMBL12723328;DTXSID10705130;(5s,8s,10ar,z)-methyl 5-(boc-amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate;(5S,8S,10aR,Z)methyl 5-((tert-butoxycarbonyl)amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate;Methyl (2Z,5S,8S,10aR)-5-[(tert-butoxycarbonyl)amino]-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate;methyl (5S,8S,10aR)-5-{[(tert-butoxy)carbonyl]amino}-6-oxo-1H,4H,5H,6H,8H,9H,10H,10aH-pyrrolo[1,2-a][1,5]diazocine-8-carboxylate

Suppliers and Price of (5S,8S,10aR,Z)-Methyl 5-((tert-butoxycarbonyl)amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-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
(5S,8S,10aR,Z)-Methyl5-((tert-butoxycarbonyl)amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate 95+%
1g
$ 772.00

Chemenu
(5S,8S,10aR,Z)-Methyl5-((tert-butoxycarbonyl)amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate 95%
1g
$ 729.00

American Custom Chemicals Corporation
(5S,8S,10AR,Z)-METHYL 5-((TERT-BUTOXYCARBONYL)AMINO)-6-OXO-1,4,5,6,8,9,10,10A-OCTAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE-8-CARBOXYLATE 95.00%
1G
$ 1575.00

American Custom Chemicals Corporation
(5S,8S,10AR,Z)-METHYL 5-((TERT-BUTOXYCARBONYL)AMINO)-6-OXO-1,4,5,6,8,9,10,10A-OCTAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE-8-CARBOXYLATE 95.00%
5MG
$ 497.66

Alichem
(5S,8S,10aR,Z)-Methyl5-((tert-butoxycarbonyl)amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate
1g
$ 678.24

Total 4 raw suppliers

Chemical Property of (5S,8S,10aR,Z)-Methyl 5-((tert-butoxycarbonyl)amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate

Chemical Property:

PSA：100.79000
LogP:0.46470
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:339.17942091
Heavy Atom Count:24
Complexity:540

Purity/Quality:

98%min ^*data from raw suppliers

(5S,8S,10aR,Z)-Methyl5-((tert-butoxycarbonyl)amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC1CN=CCC2CCC(N2C1=O)C(=O)OC
Isomeric SMILES:CC(C)(C)OC(=O)N[C@H]1CN=CC[C@H]2CC[C@H](N2C1=O)C(=O)OC

Technology Process of (5S,8S,10aR,Z)-Methyl 5-((tert-butoxycarbonyl)amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate

There total 8 articles about (5S,8S,10aR,Z)-Methyl 5-((tert-butoxycarbonyl)amino)-6-oxo-1,4,5,6,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-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:

: 1296138-83-4
YP-367

: 1071993-04-8
C₁₆H₂₅N₃O₅

Guidance literature:: With hydrogen; palladium 10% on activated carbon; In isopropyl alcohol; at 20 ℃;

Reference yield:

: 195964-54-6
1-tert-butyl 2-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate

: 1071993-04-8
C₁₆H₂₅N₃O₅

Guidance literature:: Multi-step reaction with 5 steps

1: boron trifluoride diethyl etherate / diethyl ether / -78 °C

2: hydrogenchloride / acetonitrile; 1,4-dioxane

3: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine / dichloromethane

4: ozone

5: hydrogen; palladium on activated charcoal / isopropyl alcohol

With hydrogenchloride; palladium on activated charcoal; boron trifluoride diethyl etherate; hydrogen; benzotriazol-1-ol; ozone; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; diethyl ether; dichloromethane; isopropyl alcohol; acetonitrile;
DOI:10.1358/dof.2017.042.12.2702829

Reference yield:

: 195964-65-9
(2S)-5-allyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

: 1071993-04-8
C₁₆H₂₅N₃O₅

Guidance literature:: Multi-step reaction with 4 steps

1: hydrogenchloride / acetonitrile; 1,4-dioxane

2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine / dichloromethane

3: ozone

4: hydrogen; palladium on activated charcoal / isopropyl alcohol

With hydrogenchloride; palladium on activated charcoal; hydrogen; benzotriazol-1-ol; ozone; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; dichloromethane; isopropyl alcohol; acetonitrile;
DOI:10.1358/dof.2017.042.12.2702829