104321-62-2

Basic information

• Product Name: ETHYL (R)-(-)-3-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)-TRANS-2-PROPENOATE
• Synonyms: (E)-ETHYL-4,5-O-ISOPROPYLIDENE-(R)-4,5-DIHYDROXY-2-PENTENOATE;ETHYL-(E)-3-[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-2-PROPENOATE;ETHYL (R)-(-)-3-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)-TRANS-2-PROPENOATE;ETHYL-(R)-(E)-4,5-O-ISOPROPYLIDENE 4,5-DIHYDROXYPENT-2-ENOATE;ETHYL (R)-TRANS-3-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)PROPENOATE;ETHYL (R)-TRANS-4,5-O-ISOPROPYLIDENE-4,5-DIHYDROXY-2-PENTENOATE;(R)-ETHYL-4,5-ISOPROPYLIDENEPENT-2-ENOATE;ethyl (R)-trans-4,5-O-isopropyl.-4,5-di-hydroxy-2-pentenoate
• CAS NO: 104321-62-2
• Molecular Formula: C₁₀H₁₆O₄
• Molecular Weight: 200.23
• Product Categories: chiral
• Mol File: 104321-62-2.mol
• Article Data: 21

Chemical Properties

• Boiling Point: 241 °C at 760 mmHg
• Flash Point: >230 °F
• Appearance: /
• Density: 1.05 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0368mmHg at 25°C
• Refractive Index: n20/D 1.453
• Storage Temp.: 2-8°C
• CAS DataBase Reference: ETHYL (R)-(-)-3-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)-TRANS-2-PROPENOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL (R)-(-)-3-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)-TRANS-2-PROPENOATE(104321-62-2)
• EPA Substance Registry System: ETHYL (R)-(-)-3-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)-TRANS-2-PROPENOATE(104321-62-2)

Safety Data

• Safety Statements: 23-24/25
• WGK Germany: 3
• F: 9
• Hazardous Substances Data: 104321-62-2(Hazardous Substances Data)

Usage

General Description

ETHYL (R)-(-)-3-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)-TRANS-2-PROPENOATE is a complex organic compound. The chemical is classified under the category of dioxolanes, which are heterocyclic compounds consisting of a six-member unsaturated ring with four carbon atoms, one oxygen atom and one other atom. This particular compound has an additional ethyl group (-CH2CH3) and a trans-2-propenoate group, and contains a chiral center, denoted by the (R)-(-) in its name, indicating that it exists in a specific isomer form. Due to its complex structure, this chemical is likely used in specialized contexts, such as in advanced organic synthesis, pharmaceutical research, or materials science.

InChI:InChI=1/C10H16O4/c1-4-12-9(11)6-5-8-7-13-10(2,3)14-8/h5-6,8H,4,7H2,1-3H3/b6-5+/t8-/m1/s1

Upstream product

• 1099-45-2 ethyl (triphenylphosphoranylidene)acetate 
• 22323-80-4 (4S)-2,2-dimethyl-[1,3]dioxolane-4-carbaldehyde 
• 1707-77-3 1,2:5,6-di-O-isopropylidene-D-mannitol 
• 867-13-0 diethoxyphosphoryl-acetic acid ethyl ester 
• 56710-46-4 L-5,6-isopropylidene-gulono-1,4-lactone 
• 14347-78-5 1,2-O-isopropylidene-D-glycerol 
• 1128-23-0 L-gulono-1,4-lactone 
• 50-81-7 ascorbic acid 
• 24074-26-8 ethyl (diisopropylphosphoryl)acetate 
• 15042-01-0 5,6-O-isopropylidene-L-ascorbic acid 
• 64870-23-1 1,2:5,6-di-O-isopropylidene-D-mannitol 
• 92973-40-5 methyl (2R,3S)-3,4-O-isopropylidene-2,3,4-trihydroxybutanoate 
• 91274-05-4 (2S,3S)-1,2-O-isopropylidene-1,2,3,4-tetrol 
• 98733-24-5 calcium bis[(2R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](hydroxy)acetate] 

Downstream Products

• 78508-96-0 (5S)-5-(hydroxymethyl)-5H-furan-2-one 
• 210548-97-3 (R)-3-{3-[Benzyl-(3-cyano-propyl)-amino]-propylamino}-3-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-propionic acid ethyl ester 
• 112837-17-9 (R)-(+)-5-(hydroxymethyl)furan-2(5H)-one 
• 133008-08-9 (4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-ol 
• 220623-71-2 (2S,5S)-trans-5-((4-fluorophenoxy)methyl)-2-(1-hydroxy-3-butyn-4-yl)tetrahydrofuran 
• 851532-60-0 (2S,5R)-cis-5-((4-fluorophenoxy)methyl)-2-(1-hydroxy-3-butyn-4-yl)tetrahydrofuran 
• 851532-61-1 (2R,5R)-trans-5-((4-fluorophenoxy)methyl)-2-(1-hydroxy-3-butyn-4-yl)tetrahydrofuran 
• 253867-31-1 (2S)-2-(hydroxymethyl)-5-[1-(4-methoxybenzyloxy)-3-butyn-4-yl]tetrahydrofuran 
• 851532-57-5 (2R)-2-(hydroxymethyl)-5-[1-(4-methoxybenzyloxy)-3-butyn-4-yl]tetrahydrofuran 
• 851532-53-1 (2R)-5-hydroxy-1,2-(isopropylidenedioxy)-9-(4-methoxybenzyloxy)non-6-yne 
• 851532-55-3 (2R)-5-acetoxy-1,2-dihydroxy-9-(4-methoxybenzyloxy)non-6-yne 
• 851532-54-2 (2R)-5-acetoxy-1,2-(isopropylidenedioxy)-9-(4-methoxybenzyloxy)non-6-yne 
• 254891-83-3 (5S)-5-((4-fluorophenoxy)methyl)-2-[1-(4-methoxybenzyloxy)-3-butyn-4-yl]tetrahydrofuran 
• 851532-59-7 (5R)-5-((4-fluorophenoxy)methyl)-2-[1-(4-methoxybenzyloxy)-3-butyn-4-yl]tetrahydrofuran 

Relevant articles and documents

Assignment of the relative and absolute stereochemistry of two novel epoxides using NMR and DFT-GIAO calculations

Considering the potential biological application of isobenzofuranones, especially as agrochemical defensives, two novel epoxides, (1aR,2R,2aR,5S,5aS,6S,6aS)-5-(hydroxymethyl)hexahydro-2,6-methanooxireno[2,3-f]isobenzofuran-3(1aH)-one (9), and (1aS,2S,2aR,5S,5aS,6R,6aR)-5-(hydroxymethyl)hexahydro-2,6-methanooxireno[2,3-f]isobenzofuran-3(1aH)-one (10), were synthesized from the readily available D-mannitol in six steps. The multiplicities of the hydrogens located at the bridge of the bicycle are distinct for epoxides 9 and 10 due to W coupling, and this feature was employed to confirm the assignment of these nuclei. Besides analyses of the 2D NMR spectra, the assignments of the nuclei at the epoxide ring were also inferred from information obtained by theoretical calculations. The calculated 1H and 13C NMR chemical shifts for eight candidate structures were compared with the experimental chemical shifts of 9 and 10 by measuring the mean absolute errors (MAE) and by the DP4 statistical analysis. The structures and relative configurations of 9, and 10 were determined via NMR spectroscopy assisted with theoretical calculations. As consequence of the enantioselective syntheses starting from a natural polyol, the absolute configurations of the epoxides 9 and 10 were also defined.

MONOBACTAM COMPOUNDS AND USE THEREFOR

Monobactam compounds and a use therefor. Specifically provided are chemical compounds represented by formula (I) or isomers, pharmaceutically acceptable salts, solvates, crystals, or prodrugs thereof, preparation methods therefor, pharmaceutical compositions containing said compounds, and a use of said compounds or compositions in treating bacterial infection. The present compounds feature excellent antibacterial activity, and have great hopes of becoming a therapeutic agent for bacterial infection.

PROCESS FOR THE PREPARATION OF [(1 S,2R)-3-[[(4-AMINOPHENYL)SULFONYL] (2-METHYLPROPYL)AMINO]-2-HYDROXY-1 -(PHENYLMETHYL)PROPYL]-CARBAMIC ACID (3R,3AS,6AR)HEXAHYDRO FURO[2,3-B]FURAN-3-YL ESTER AND ITS AMORPHOUS FORM

The present invention relates to an improved process for the preparation of [(1 S,2R)-3-[ [(4-aminophenyl)sulfonyl] (2-methylpropyl)amino]-2-hydroxy- 1 -(phenylmethyl)propyl] - carbamic acid (3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl ester compound of formula- 1 represented by the following structural formula: