CAS No.76470-66-1,LF163892 MONOHYDRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76470-66-1
Name:	LF163892 MONOHYDRATE
Article Data:	3

Formula:	C16H16 Cl N3 O4
Molecular Weight:	349.774
Synonyms:	1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[(aminophenylacetyl)amino]-3-chloro-8-oxo-, [6R-[6a,7b(R*)]]-; 1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2R)-aminophenylacetyl]amino]-3-chloro-8-oxo-, (6R,7S)- (9CI); KT3777; LY 163892; Lorabid; Loracarbef; Loribid
Density:	1.52g/cm³
Melting Point:	>196°C (dec.)
Boiling Point:	662.2°C at 760 mmHg
Flash Point:	354.3°C
PSA:	112.73000
LogP:	1.73990

Synthetic route

: 24461-61-8
(R)-Phenylglycine methyl ester

: 76497-76-2
(6R*,7S*)-3-chloro-7-amino-8-oxo-1-azabicyclo<4.2.0>oct-2-en-2-carboxylic acid

: 76470-66-1
loracarbef

Conditions

Conditions	Yield
In water at 20℃; for 8.5h; Kluyvera citrophila KY-7844, phosphate buffer (pH 6.75);	78.2%

: 124831-39-6
(6R,7S)-3-Chloro-7-[(R)-2-((E)-2-methoxycarbonyl-1-methyl-vinylamino)-2-phenyl-acetylamino]-8-oxo-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-nitro-benzyl ester

: 76470-66-1
loracarbef

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: 86686-58-0, 118648-68-3
(6R,7S)-7-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-8-oxo-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester

: 76470-66-1
loracarbef

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 77.5 percent / piperazine / CHCl3 / 3 h 2: 1.) m-chloroperbenzoic acid, 2.) SO2Cl2 / 1.) CHCl3, 0 deg C, 30 min, 2.) CH2Cl2, 0 deg C, 1 h 3: 71.8 percent / trifluoroacetic acid / 1 h / 0 °C 4: hydrazine hydrate, 0.2N NaOH / 5 deg C, 3 h, 35 deg C 5: 78.2 percent / H2O / 8.5 h / 20 °C / Kluyvera citrophila KY-7844, phosphate buffer (pH 6.75) View Scheme

: 75390-24-8, 76485-16-0
tert-butyl (6R*,7S*)-3-chloro-7-amino-8-oxo-1-azabicyclo<4.2.0>oct-2-en-2-carboxylate

: 76470-66-1
loracarbef

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 60.9 percent / CF3CO2H / 0.5 h / Ambient temperature 2: 78.2 percent / H2O / 8.5 h / 20 °C / Kluyvera citrophila KY-7844, phosphate buffer (pH 6.75) View Scheme

: tert-butyl (6R*,7S*)-3-chloro-7-azido-8-oxo-1-azabicyclo<4.2.0>oct-2-en-2-carboxylate

: 76470-66-1
loracarbef

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 68.4 percent / H2, 1N HCl / 10percent Pd-C / ethanol / 3 h / Ambient temperature 2: 60.9 percent / CF3CO2H / 0.5 h / Ambient temperature 3: 78.2 percent / H2O / 8.5 h / 20 °C / Kluyvera citrophila KY-7844, phosphate buffer (pH 6.75) View Scheme

: 76470-65-0, 76609-93-3, 143789-80-4
(6R*,7S*)-3-chloro-7-phenylacetamido-8-oxo-1-azabicyclo<4.2.0>oct-2-en-2-carboxylic acid

: 76470-66-1
loracarbef

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 59 percent / H2O / 1.33 h / 40 °C / Kluyvera citrophila KY 7844 enzyme pH 8 2: 78.2 percent / H2O / 8.5 h / 20 °C / Kluyvera citrophila KY-7844, phosphate buffer (pH 6.75) View Scheme

: 99333-65-0
1-benzyl-3β-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4β-[2-(2-furyl)ethyl]azetidin-2-one

: 76470-66-1
loracarbef

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1: 1.) Li/NH3, t-BuOH 2.) aq. NaHCO3 / 1.) THF 2.) CH3CN 2: 77 percent / O3, H2O2 / CH2Cl2; methanol 3: carbonyl diimidazole / tetrahydrofuran 4: 85 percent / p-dodecyl-SO2N3, TEA / acetonitrile 5: 72 percent / Rh2(O2CC7H15)4 / CH2Cl2 6: 72 percent / (PhO)3PCl2, HCl / pyridine; CH2Cl2; ethyl acetate; various solvent(s) 7: 1.) TEA 2.) TEA, i-BuOCOCl / 2.) DMBA / 1.) ETOH, H2O 2.) DMF View Scheme

Yield

Multi-step reaction with 8 steps
1: 1.) Li/NH3, t-BuOH 2.) aq. NaHCO3 / 1.) THF 2.) CH3CN
2: 77 percent / O3, H2O2 / CH2Cl2; methanol
3: carbonyl diimidazole / tetrahydrofuran
4: 85 percent / p-dodecyl-SO2N3, TEA / acetonitrile
5: 72 percent / Rh2(O2CC7H15)4 / CH2Cl2
6: 72 percent / (PhO)3PCl2, HCl / pyridine; CH2Cl2; ethyl acetate; various solvent(s)
7: 1.) TEA 2.) TEA, i-BuOCOCl / 2.) DMBA / 1.) ETOH, H2O 2.) DMF
View Scheme

: 119892-46-5
p-nitrobenzyl 7β-[(phenoxyacetyl)amino]-3-hydroxy-1-carba-1-dethia-3-cephem-4-carboxylate

: 76470-66-1
loracarbef

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 72 percent / (PhO)3PCl2, HCl / pyridine; CH2Cl2; ethyl acetate; various solvent(s) 2: 1.) TEA 2.) TEA, i-BuOCOCl / 2.) DMBA / 1.) ETOH, H2O 2.) DMF View Scheme

: 40778-79-8
3-[((R)-carboxy-phenyl-methyl)-amino]-but-2-enoic acid methyl ester

: 76470-66-1
loracarbef

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) TEA 2.) TEA, i-BuOCOCl / 2.) DMBA / 1.) ETOH, H2O 2.) DMF View Scheme

: 124831-37-4
cis-4-oxo-3-[(phenoxyacetyl)amino]-2-azetidinepropanoic acid

: 76470-66-1
loracarbef

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: carbonyl diimidazole / tetrahydrofuran 2: 85 percent / p-dodecyl-SO2N3, TEA / acetonitrile 3: 72 percent / Rh2(O2CC7H15)4 / CH2Cl2 4: 72 percent / (PhO)3PCl2, HCl / pyridine; CH2Cl2; ethyl acetate; various solvent(s) 5: 1.) TEA 2.) TEA, i-BuOCOCl / 2.) DMBA / 1.) ETOH, H2O 2.) DMF View Scheme

Raw Materials