(4S,5S)-(+)-4,5-Bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane

Base Information

• Chemical Name: (4S,5S)-(+)-4,5-Bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane
• CAS No.: 84409-70-1
• Molecular Formula: C₇H₁₂F₂O₂
• Molecular Weight: 166.168
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID80427377
• Wikidata: Q82240033
• Mol file: 84409-70-1.mol

Synonyms:84409-70-1;(4S,5S)-(+)-4,5-Bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane;(4S,5S)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane;(+)-2,3-O-Isopropylidiene-1,4-difluoro-2,3-butanediol;DTXSID80427377;CS-0456139

Chemical Property of (4S,5S)-(+)-4,5-Bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 1.04mmHg at 25°C
• Refractive Index: 1.363
• Boiling Point: 183.7°C at 760 mmHg
• Flash Point: 71.2°C
• PSA: 18.46000
• Density: 1.024g/cm³
• LogP: 1.44550
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 166.08053595
• Heavy Atom Count: 11
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

(+)-2,3-O-ISOPROPYLIDIENE-2,3-DIHYDROXY-1,4-DIFLUOROBUTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OC(C(O1)CF)CF)C
• Isomeric SMILES: CC1(O[C@@H]([C@H](O1)CF)CF)C

Technology Process of (4S,5S)-(+)-4,5-Bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane

There total 1 articles about (4S,5S)-(+)-4,5-Bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane 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:

1,4-di-o-tosyl-2,3-isopropylidene-D-threitol (51064-65-4) → (4S,5S)-Bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolan (84409-70-1)

Guidance literature:

With potassium fluoride; In ethylene glycol; at 130 ℃; for 4h; under 11 - 12 Torr;

DOI:10.1016/0022-328X(89)87285-7

Reference yield:

(4S,5S)-Bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolan (84409-70-1) + lithium dicyclohexylphosphide (19966-81-5) → (+)-(2S,3S)-2,3-O-isopropylidene-2,3-dihydroxy-1,4-bis(dicyclohexylphosphino)butane (84409-69-8)

Guidance literature:

Multistep reaction;

DOI:10.1016/0022-328X(89)87285-7

upstream raw materials:

1,4-di-o-tosyl-2,3-isopropylidene-D-threitol

Downstream raw materials:

(+)-(2S,3S)-2,3-O-isopropylidene-2,3-dihydroxy-1,4-bis(dicyclohexylphosphino)butane