4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-((((((4-(methylamino)benzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-

Base Information

Chemical Name:4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-((((((4-(methylamino)benzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-
CAS No.:143667-45-2
Molecular Formula:C₂₆H₂₈N₆O₆S
Molecular Weight:552.611
Hs Code.:

4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-((((((4-(methylamino)benzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-

Synonyms:143667-45-2;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-((((((4-(methylamino)benzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-;C26H28N6O6S;C26-H28-N6-O6-S;LS-149805

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Chemical Property of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-((((((4-(methylamino)benzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-

Chemical Property:

Density:1.487g/cm³
XLogP3:2.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:552.17910381
Heavy Atom Count:39
Complexity:1010

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C=NNC(=O)C4=CC=C(C=C4)NC)C(=O)O)C
Isomeric SMILES:CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)/C=N/NC(=O)C4=CC=C(C=C4)NC)C(=O)O)C

Technology Process of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-((((((4-(methylamino)benzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-

There total 2 articles about 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-((((((4-(methylamino)benzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(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:

: 46084-34-8
4-methylamino-benzoic acid hydrazide

: 143667-45-2
(2S,5R,6R)-3,3-Dimethyl-6-(2-{2-[(4-methylamino-benzoyl)-hydrazono]-acetylamino}-2-phenyl-acetylamino)-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: H₂O / 0.08 h / Heating

2: 1.) N-methylmorpholine, 4-dimethylaminopyridine, isobutyl chloroformate, 2.) TEM / 1.) DMF, -15 deg C, 30 min, 2.) THF, water, a) -20 deg C, 1 h, b) r.t., 2 h

With 4-methyl-morpholine; dmap; isobutyl chloroformate; In water;

Reference yield:

: 137219-31-9
[(4-Methylamino-benzoyl)-hydrazono]-acetic acid

: 33993-48-5
ampicillin

: 143667-45-2
(2S,5R,6R)-3,3-Dimethyl-6-(2-{2-[(4-methylamino-benzoyl)-hydrazono]-acetylamino}-2-phenyl-acetylamino)-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid

Guidance literature:: With 4-methyl-morpholine; dmap; isobutyl chloroformate; Multistep reaction; 1.) DMF, -15 deg C, 30 min, 2.) THF, water, a) -20 deg C, 1 h, b) r.t., 2 h;