1,3-Dioxolan-2-one, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-imidazol-1-ylmethyl)-, (4S,5R)-

Base Information

Chemical Name:1,3-Dioxolan-2-one, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-imidazol-1-ylmethyl)-, (4S,5R)-
CAS No.:107679-94-7
Molecular Formula:C19H13 Cl2 F N2 O3
Molecular Weight:407.2225
Hs Code.:
DSSTox Substance ID:DTXSID80148191
Wikidata:Q83013671
ChEMBL ID:CHEMBL10449

Synonyms:107679-94-7;1,3-Dioxolan-2-one, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-imidazol-1-ylmethyl)-, (4S,5R)-;(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1,3-dioxolan-2-one;CHEMBL10449;DTXSID80148191;1,3-Dioxolan-2-one, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-imidazol-1-ylmethyl)-, rel-(4S,5R)-

Suppliers and Price of 1,3-Dioxolan-2-one, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-imidazol-1-ylmethyl)-, (4S,5R)-

Supply Marketing:

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

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Chemical Property of 1,3-Dioxolan-2-one, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-imidazol-1-ylmethyl)-, (4S,5R)-

Chemical Property:

Vapor Pressure:4.2E-15mmHg at 25°C
Boiling Point:615.9°C at 760 mmHg
Flash Point:326.3°C
Density:1.47g/cm³
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:406.0287258
Heavy Atom Count:27
Complexity:549

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2C(OC(=O)O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl)F
Isomeric SMILES:C1=CC(=CC=C1[C@@H]2[C@@](OC(=O)O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl)F

Technology Process of 1,3-Dioxolan-2-one, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-imidazol-1-ylmethyl)-, (4S,5R)-

There total 4 articles about 1,3-Dioxolan-2-one, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-imidazol-1-ylmethyl)-, (4S,5R)- 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: 77.0%

: 96223-51-7
(1R,2S)-2-(2,4-Dichloro-phenyl)-1-(4-fluoro-phenyl)-3-imidazol-1-yl-propane-1,2-diol

: 530-62-1
1,1'-carbonyldiimidazole

: 107679-94-7
(4R,5S)-4-(2,4-Dichloro-phenyl)-5-(4-fluoro-phenyl)-4-imidazol-1-ylmethyl-[1,3]dioxolan-2-one

Guidance literature:: In dichloromethane; for 1h; Heating;
DOI:10.1021/jm00389a016

Reference yield:

: 1-(2,4-Dichloro-phenyl)-2-(4-fluoro-phenyl)-ethane-1,2-dione

: 107679-94-7
(4R,5S)-4-(2,4-Dichloro-phenyl)-5-(4-fluoro-phenyl)-4-imidazol-1-ylmethyl-[1,3]dioxolan-2-one

Guidance literature:: Multi-step reaction with 4 steps

1: diethyl ether; dioxane / 16 h / Ambient temperature

2: 1.) NaH / 1.) DMF, RT, 5 min, 2.) DMF, 50 deg C, 17 h

3: NaBH₄ / ethanol / 1 h / Ambient temperature

4: 77 percent / CH₂Cl₂ / 1 h / Heating

With sodium tetrahydroborate; sodium hydride; In 1,4-dioxane; diethyl ether; ethanol; dichloromethane;
DOI:10.1021/jm00389a016

Reference yield:

: [2-(2,4-Dichloro-phenyl)-oxiranyl]-(4-fluoro-phenyl)-methanone

: 107679-94-7
(4R,5S)-4-(2,4-Dichloro-phenyl)-5-(4-fluoro-phenyl)-4-imidazol-1-ylmethyl-[1,3]dioxolan-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH / 1.) DMF, RT, 5 min, 2.) DMF, 50 deg C, 17 h

2: NaBH₄ / ethanol / 1 h / Ambient temperature

3: 77 percent / CH₂Cl₂ / 1 h / Heating

With sodium tetrahydroborate; sodium hydride; In ethanol; dichloromethane;
DOI:10.1021/jm00389a016