(cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate

Base Information

Chemical Name:(cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate
CAS No.:61397-57-7
Molecular Formula:C₁₈H₁₅BrCl₂O₄
Molecular Weight:446.125
Hs Code.:
European Community (EC) Number:262-765-9
Wikidata:Q72447015
Mol file:61397-57-7.mol

Synonyms:61397-56-6;EINECS 262-765-9;(cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate;rel-((2R,4S)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate;cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate;C18-H15-Br-Cl2-O4;SCHEMBL7469279;AKOS015891329;D82338;cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dio

Suppliers and Price of (cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 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

TRC
trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methylBenzoate
50mg
$ 175.00

Medical Isotopes, Inc.
trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methylBenzoate
50 mg
$ 640.00

Total 5 raw suppliers

Chemical Property of (cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate

Chemical Property:

Melting Point:82-84oC
Storage Temp.:-20°C Freezer, Under Inert Atmosphere
Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly)
XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:443.95308
Heavy Atom Count:25
Complexity:460

Purity/Quality:

99% ^*data from raw suppliers

trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methylBenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(OC(O1)(CBr)C2=C(C=C(C=C2)Cl)Cl)COC(=O)C3=CC=CC=C3
Isomeric SMILES:C1[C@H](O[C@@](O1)(CBr)C2=C(C=C(C=C2)Cl)Cl)COC(=O)C3=CC=CC=C3
Uses An intermediate in the preparation of antifungal agents such as Ketoconazole (K186000), Itraconazole (I937500) and Terconazole.

Technology Process of (cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate

There total 5 articles about (cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 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: 54.0%

: 532-32-1
sodium benzoate

: 497250-93-8
(+/-)-2-(bromomethyl)-4-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane

: 61397-56-6
(+/-)-cis-[2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-yl]methyl benzoate

: 61397-56-6,61397-57-7,68684-86-6,68751-58-6
trans-[2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate

Guidance literature:: In N,N-dimethyl-formamide; at 160 - 165 ℃; for 6h;
DOI:10.1016/0957-4166(95)00161-H

Reference yield: 50.0%

: 68751-57-5
2-(2,4-dichlorophenyl)-2-bromomethyl-4-hydroxymethyl-1,3-dioxolane

: 98-88-4
benzoyl chloride

: 61397-56-6
(+/-)-cis-[2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-yl]methyl benzoate

: 61397-56-6,61397-57-7,68684-86-6,68751-58-6
trans-[2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate

Guidance literature:: In pyridine; at 5 ℃; for 3h;
DOI:10.1016/S0223-5234(97)83290-4

Reference yield:

: 172032-21-2
(2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl)methanol

: 61397-56-6,61397-57-7,68684-86-6,68751-58-6
trans-[2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / Br₂ / toluene / 1 h / Ambient temperature

2: pyridine / 3 h / 5 °C

With bromine; In pyridine; toluene;
DOI:10.1016/S0223-5234(97)83290-4