1-(2-Amino-2-oxoethyl)-4-((6-(2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-9-oxo-9H-fluoren-2-yl)methyl)-1,4-diazoniabicyclo(2.2.2)octane chloride,4S-(4a,5b,6b(S*))

Base Information

Chemical Name:1-(2-Amino-2-oxoethyl)-4-((6-(2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-9-oxo-9H-fluoren-2-yl)methyl)-1,4-diazoniabicyclo(2.2.2)octane chloride,4S-(4a,5b,6b(S*))
CAS No.:169957-63-5
Molecular Formula:C₃₂H₃₅N₄O₆*Cl
Molecular Weight:607.106
Hs Code.:
UNII:0V3CPA653N
ChEMBL ID:CHEMBL322522

1-(2-Amino-2-oxoethyl)-4-((6-(2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-9-oxo-9H-fluoren-2-yl)methyl)-1,4-diazoniabicyclo(2.2.2)octane chloride,4S-(4a,5b,6b(S*))

Synonyms:L-742728;0V3CPA653N;CHEMBL322522;1,4-Diazoniabicyclo(2.2.2)octane, 1-(2-amino-2-oxoethyl)-4-((6-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-9-oxo-9H-fluoren-2-yl)methyl)-, inner salt, chloride;1-(2-Amino-2-oxoethyl)-4-((6-(2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-9-oxo-9H-fluoren-2-yl)methyl)-1,4-diazoniabicyclo(2.2.2)octane chloride,4S-(4a,5b,6b(S*));169957-63-5;D0PC7I;UNII-0V3CPA653N;BDBM50217295;L-763863;1,4-DIAZONIABICYCLO(2.2.2)OCTANE, 1-(2-AMINO-2-OXOETHYL)-4-((6-(2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)-9-OXO-9H-FLUOREN-2-YL)METHYL)-, INNER SALT, CHLORIDE, (4S-(4.ALPHA.,5.BETA.,6.BETA.(S*)))-;1,4-Diazoniabicyclo(2.2.2)octane, 1-(2-amino-2-oxoethyl)-4-((6-(2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-9-oxo-9H-fluoren-2-yl)methyl)-, inner salt, chloride, (4S-(4alpha,5beta,6beta(S*)))-

Suppliers and Price of 1-(2-Amino-2-oxoethyl)-4-((6-(2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-9-oxo-9H-fluoren-2-yl)methyl)-1,4-diazoniabicyclo(2.2.2)octane chloride,4S-(4a,5b,6b(S*))

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-(2-Amino-2-oxoethyl)-4-((6-(2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-9-oxo-9H-fluoren-2-yl)methyl)-1,4-diazoniabicyclo(2.2.2)octane chloride,4S-(4a,5b,6b(S*))

Chemical Property:

Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:606.2245125
Heavy Atom Count:43
Complexity:1220

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1C2C(C(=O)N2C(=C1C3=CC4=C(C=C3)C(=O)C5=C4C=CC(=C5)C[N+]67CC[N+](CC6)(CC7)CC(=O)N)C(=O)[O-])C(C)O.[Cl-]
Isomeric SMILES:C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1C3=CC4=C(C=C3)C(=O)C5=C4C=CC(=C5)C[N+]67CC[N+](CC6)(CC7)CC(=O)N)C(=O)[O-])[C@@H](C)O.[Cl-]

Technology Process of 1-(2-Amino-2-oxoethyl)-4-((6-(2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-9-oxo-9H-fluoren-2-yl)methyl)-1,4-diazoniabicyclo(2.2.2)octane chloride,4S-(4a,5b,6b(S*))

There total 16 articles about 1-(2-Amino-2-oxoethyl)-4-((6-(2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-9-oxo-9H-fluoren-2-yl)methyl)-1,4-diazoniabicyclo(2.2.2)octane chloride,4S-(4a,5b,6b(S*)) 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: 64.0%

: [4S-(4α,5β,6β(S*))]-1-(2-amino-2-oxoethyl)-({6-[6-(1-hydroxyethyl)-4-methyl-2-({[(4-nitrophenyl)methyl]oxy}carbonyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]-9-oxo-9H-fluoren-2-yl}methyl)-1,4-diazaniabicyclo[2.2.2]octane 1-propanesulfonate trifluo...

: 169957-63-5
[4S-(4α,5β,6β(S*))]-1-(2-amino-2-oxoethyl)-4-({6-[2-carboxy-6-(1-hydroxyethyl)4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]-9-oxo-9H-fluoren-2-yl}methyl)-1,4-diazaniabicyclo[2.2.2]octane chloride

Guidance literature:: With hydrogen; platinum(II) oxide; In isopropyl alcohol; at 5 - 10 ℃; for 5.75h; under 5171.5 Torr; MOPS buffer, pH 7.0;
DOI:10.1021/jo980381n

Reference yield:

: C₃₉H₄₁N₅O₈⁽²⁺⁾*2Cl^(1-)

: 169957-63-5
[4S-(4α,5β,6β(S*))]-1-(2-amino-2-oxoethyl)-4-({6-[2-carboxy-6-(1-hydroxyethyl)4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]-9-oxo-9H-fluoren-2-yl}methyl)-1,4-diazaniabicyclo[2.2.2]octane chloride

Guidance literature:: With hydrogen; Rh on carbon; In tetrahydrofuran; under 760 Torr; pH=7;
DOI:10.1016/S0960-894X(99)00567-3

Reference yield:

: 280-57-9,88935-43-7
1,4-diaza-bicyclo[2.2.2]octane

: 169957-63-5
[4S-(4α,5β,6β(S*))]-1-(2-amino-2-oxoethyl)-4-({6-[2-carboxy-6-(1-hydroxyethyl)4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]-9-oxo-9H-fluoren-2-yl}methyl)-1,4-diazaniabicyclo[2.2.2]octane chloride

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / acetonitrile / 20 - 25 °C

2: 98 percent / acetonitrile / 40 - 45 °C

4: 64 percent / H₂ / PtO / propan-2-ol / 5.75 h / 5 - 10 °C / 5171.5 Torr / MOPS buffer, pH 7.0

With hydrogen; platinum(II) oxide; In isopropyl alcohol; acetonitrile;
DOI:10.1021/jo980381n