Diphenylmethyl 7β-amino-7α-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate
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![Diphenylmethyl 7β-amino-7α-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e57f3367ae4245a0b61c9422af9381e1.png "Diphenylmethyl 7β-amino-7α-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate")
Diphenylmethyl 7β-amino-7α-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate
structure -
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CAS No:
56610-72-1
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Formula:
C24H24N6O4S2
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Chemical Name:
Diphenylmethyl 7β-amino-7α-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate
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Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,diphenylmethyl ester,(6R,7S)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,diphenylmethyl ester,(6R-cis)-;Diphenylmethyl 7β-amino-7α-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate
- Categories:
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CAS No:
Diphenylmethyl 7β-amino-7α-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate Basic Attributes
524.624
524.62
1308068-626-2
7SSG9SDN2A
DTXSID50512224
Characteristics
176
2.2
faint yellow to yellow powder
1.5±0.1 g/cm3
120°C(lit.)
743.2°C at 760 mmHg
403.2±35.7 °C
1.734
Safety Information
P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, P501
H317
|Danger|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Diphenylmethyl 7β-amino-7α-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate Use and Manufacturing
7) Synthesis of Compound 7-MAC: at a reaction temperature of 5 , Compound VII (1.93g, 3mmol) was added to pyridine (0.25g, 3.1mmol) and PClPyridine (0.25 g, 3.1 mmol) was added to a suspensionof PCl5 (0.65 g, 3.1 mmol) in methylene chloride(8 mL) at 5 °C, and the mixture was stirred at room temperaturefor 30 min. 10 (1.93 g, 3 mmol) was added toreaction mixture at 5 °C and stirred at 5–8 °C for 2 h.Then, methanol (2 mL) was quickly added to reactionmixture at −30 °C and the resulting solution was stirredat −10 °C for 2 h. After removing the solvent in vacuo, the residue was added to a mixture of water and diethylether. The separated aqueous layer was adjusted to pH7.5 with 20 percent Na2CO3, and extracted with ethyl acetate.The ethyl acetate layer was washed with brine, driedover anhydrous magnesium sulphate and evaporated togive 3 (1.43 g, 91.0 percent) as yellow solid. m.p.: 119.6–121.2 °C (lit. [41]: 120–124 °C). IR (KBr): 3374, 3031, 2944, 1774, 1721, 1656, 1637, 1626, 1496, 1475, 1454, 1377, 1250, 1236, 1170, 1097, 1009, 744, 700 cm−1. 1HNMR (400 MHz, CDCl3): δ = 3.51 (s, 3H, CH3O), 3.56(d, 2J = −16.8 Hz, 1H, H-4), 3.63 (d, 2J = −6.8 Hz, 1H, H-4), 3.84 (s, 3H, CH3), 4.28 (d, 2J = −13.6 Hz, 1H, CH2), 4.48 (d, 2J = −13.6 Hz, 1H, CH2), 4.84 (s, 1H, H-6), 6.93 (s, 1H, CH), 7.26–7.49 (m, 10H, ArH). ESI–MS: m/z (percent) = 525 (4) [M + H]+, 547 (28) [M + Na]+, 215 (69), 167 (100).
7β-Amino-7α-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid Diphenylmethyl Ester is a 7α-methoxycephalosporin derivative used as an intermediate in the preparation of Cefmetazole (C242850) and other semi-synthetic antibiotics.
Computed Properties
Molecular Weight:524.6
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:524.13004562
Monoisotopic Mass:524.13004562
Topological Polar Surface Area:176
Heavy Atom Count:36
Complexity:848
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Diphenylmethyl 7β-amino-7α-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate
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![China]()
CN
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CN
2 YRS
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Diphenylmethyl 7β-amino-7α-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate
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