2-Deoxy-2,2-difluoro-4,5-O-isopropylidene-D-threo-pentonic Acid Ethyl Ester

Base Information

• Chemical Name: 2-Deoxy-2,2-difluoro-4,5-O-isopropylidene-D-threo-pentonic Acid Ethyl Ester
• CAS No.: 95058-93-8
• Molecular Formula: C₁₀H₁₆F₂O₅
• Molecular Weight: 254.231
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40541765
• Wikidata: Q82418198
• Mol file: 95058-93-8.mol

Synonyms:95058-93-8;2-Deoxy-2,2-difluoro-4,5-O-isopropylidene-D-threo-pentonic Acid Ethyl Ester;ETHYL (3S)-3-[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-2,2-DIFLUORO-3-HYDROXYPROPANOATE;OUFRYOWGFSOSEY-RQJHMYQMSA-N;SCHEMBL10048610;DTXSID40541765;AKOS025401505;AC-20155;Ethyl 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-D-glycero-pentonate;D-Threo-pentonic acid,2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-,ethyl ester

Chemical Property of 2-Deoxy-2,2-difluoro-4,5-O-isopropylidene-D-threo-pentonic Acid Ethyl Ester

Chemical Property:

• Vapor Pressure: 6.67E-06mmHg at 25°C
• Boiling Point: 338.4°C at 760 mmHg
• Flash Point: 158.5°C
• PSA: 64.99000
• Density: 1.232g/cm³
• LogP: 0.69720
• Solubility.: Chloroform, Dichloromethane, Methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 254.09657993
• Heavy Atom Count: 17
• Complexity: 292

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

2-Deoxy-2,2-difluoro-4,5-O-isopropylidene-D-threo-pentonicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(C1COC(O1)(C)C)O)(F)F
• Isomeric SMILES: CCOC(=O)C([C@H]([C@H]1COC(O1)(C)C)O)(F)F

Technology Process of 2-Deoxy-2,2-difluoro-4,5-O-isopropylidene-D-threo-pentonic Acid Ethyl Ester

There total 1 articles about 2-Deoxy-2,2-difluoro-4,5-O-isopropylidene-D-threo-pentonic Acid Ethyl Ester 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:

Ethyl bromodifluoroacetate (667-27-6) + 2,3-isopropylidene-glyceraldehyde (15186-48-8) → ethyl 2,2-difluoro-3(R)-hydroxy-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propionate (95058-92-7,166376-97-2) + ethyl 2,2-difluoro-3(S)-hydroxy-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propionate (95058-93-8,166376-97-2)

Guidance literature:

With zinc; In tetrahydrofuran; diethyl ether; for 1h; Heating;

DOI:10.1021/jo00246a002

upstream raw materials:

Ethyl bromodifluoroacetate

2,3-isopropylidene-glyceraldehyde