(2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol

Base Information

• Chemical Name: (2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol
• CAS No.: 68751-57-5
• Molecular Formula: C11H11BrCl2O3
• Molecular Weight: 342.017
• Hs Code.: 2932999099
• European Community (EC) Number: 272-139-7
• DSSTox Substance ID: DTXSID60988456
• Nikkaji Number: J332.614D
• Mol file: 68751-57-5.mol

Synonyms:68751-57-5;(2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol;2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol;[2-(BROMOMETHYL)-2-(2,4-DICHLOROPHENYL)-1,3-DIOXOLAN-4-YL]METHANOL;EINECS 272-139-7;C11H11BrCl2O3;SCHEMBL9807176;C11-H11-Br-Cl2-O3;DTXSID60988456;KWVAKSFLLNZGBK-UHFFFAOYSA-N;AKOS022175114;CS-T-08551;A866987;1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-;[2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol

Chemical Property of (2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 429.5°Cat760mmHg
• PKA: 14.20±0.10(Predicted)
• Flash Point: 213.6°C
• PSA: 38.69000
• Density: 1.627g/cm³
• LogP: 2.94880
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 339.92686
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

97% ^*data from raw suppliers

2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol(Mixtureofdiastereomers) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC(O1)(CBr)C2=C(C=C(C=C2)Cl)Cl)CO

Technology Process of (2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol

There total 6 articles about (2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol 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: 95.0%

(+/-)-cis-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-carboxylic acid → (+/-)-cis-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol (61396-52-9,61397-49-7,68684-85-5,68684-87-7,68751-57-5)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

DOI:10.1016/S0957-4166(02)00662-6

Reference yield: 87.0%

(2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl)methanol (172032-21-2) → 2-(2,4-dichlorophenyl)-2-bromomethyl-4-hydroxymethyl-1,3-dioxolane (68751-57-5)

Guidance literature:

With bromine; In toluene; for 1h; Ambient temperature;

DOI:10.1016/S0223-5234(97)83290-4

Reference yield: 87.0%

(+/-)-cis-[2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-yl]methyl benzoate (61397-56-6) → (+/-)-cis-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol (61396-52-9,61397-49-7,68684-85-5,68684-87-7,68751-57-5)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 4h;

DOI:10.1016/S0957-4166(02)00662-6

upstream raw materials:

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

1-(2,4-dichlorophenyl)ethan-1-one

glycerol

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

Downstream raw materials:

2-bromomethyl-2-(2,4-dichlorophenyl)-4-phenylcarbonyloxymethyl-1,3-dioxolane

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

trans-[2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate