D-threo-Pentonic acid, 2-deoxy-2,2-difluoro-, gamma-lactone, 3-benzoate

Base Information

Chemical Name:D-threo-Pentonic acid, 2-deoxy-2,2-difluoro-, gamma-lactone, 3-benzoate
CAS No.:122111-08-4
Molecular Formula:C₁₂H₁₀F₂O₅
Molecular Weight:272.205
Hs Code.:
DSSTox Substance ID:DTXSID501161955

Synonyms:122111-08-4;SCHEMBL12355575;DTXSID501161955;(2R,3S)-4,4-Difluoro-2-(hydroxymethyl)-5-oxotetrahydrofuran-3-yl benzoate

Suppliers and Price of D-threo-Pentonic acid, 2-deoxy-2,2-difluoro-, gamma-lactone, 3-benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of D-threo-Pentonic acid, 2-deoxy-2,2-difluoro-, gamma-lactone, 3-benzoate

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:272.04962974
Heavy Atom Count:19
Complexity:365

Purity/Quality:: 95%+ or 98%+ ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)OC2C(OC(=O)C2(F)F)CO
Isomeric SMILES:C1=CC=C(C=C1)C(=O)O[C@H]2[C@H](OC(=O)C2(F)F)CO

Technology Process of D-threo-Pentonic acid, 2-deoxy-2,2-difluoro-, gamma-lactone, 3-benzoate

There total 4 articles about D-threo-Pentonic acid, 2-deoxy-2,2-difluoro-, gamma-lactone, 3-benzoate 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:

: 1061324-74-0
(R)-1-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-oxo-3-((S)-1-phenylethylamine)propyl benzoate

: 122111-08-4
2-deoxy-2,2-difluoro-D-erythropentofuranos-1-ulose-3-benzoate

Guidance literature:: With hydrogenchloride; water; In acetonitrile; for 4h; Heating / reflux;

Reference yield:

: 98-88-4
benzoyl chloride

: 122111-07-3,122111-08-4
(D-erythro,D-threo)-2-deoxy-2,2-difluoropentofuranos-1-ulose-3-benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / 2,6-lutidine / 4-dimethylaminopyridine / CH₂Cl₂ / 3 h / 33 - 36 °C

2: 1) trifluoroacetic acid, water, 2) toluene / 1) CH₃CN, 78 deg C, 3 h, 2) azeotropic distillation until 95-100 deg C (pot temperature)

With 2,6-dimethylpyridine; water; toluene; trifluoroacetic acid; dmap; In dichloromethane;
DOI:10.1055/s-1992-26167

Reference yield:

: 928797-50-6,166376-97-2
ethyl (3R,S)-2,2-difluoro-3-hydroxy-(2,2-dimethyldioxolpent-4-yl)propionate

: 122111-07-3,122111-08-4
(D-erythro,D-threo)-2-deoxy-2,2-difluoropentofuranos-1-ulose-3-benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / 2,6-lutidine / 4-dimethylaminopyridine / CH₂Cl₂ / 3 h / 33 - 36 °C

2: 1) trifluoroacetic acid, water, 2) toluene / 1) CH₃CN, 78 deg C, 3 h, 2) azeotropic distillation until 95-100 deg C (pot temperature)

With 2,6-dimethylpyridine; water; toluene; trifluoroacetic acid; dmap; In dichloromethane;
DOI:10.1055/s-1992-26167