1,3-Dioxolan-4-methanol, 2-(p-chlorophenyl)-2-methyl-

Base Information

• Chemical Name: 1,3-Dioxolan-4-methanol, 2-(p-chlorophenyl)-2-methyl-
• CAS No.: 1206-38-8
• Molecular Formula: C11H13 Cl O3
• Molecular Weight: 0
• Hs Code.: 2932999099
• NSC Number: 27587
• DSSTox Substance ID: DTXSID80923480
• Nikkaji Number: J53.932E
• Mol file: 1206-38-8.mol

Synonyms:1206-38-8;K 161;[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol;NSC 27587;BRN 1314665;1,3-Dioxolan-4-methanol, 2-(p-chlorophenyl)-2-methyl-;2-(p-Chlorphenyl)-2-methyl-4-hydroxymethyl-1,3-dioxolan [German];1,3-Dioxolane-4-methanol, 2-(4-chlorophenyl)-2-methyl-;2-(p-Chlorophenyl)-2-methyl-4-hydroxymethyl-1,3-dioxolane;1,3-DIOXOLANE-4-METHANOL, 2-(p-CHLOROPHENYL)-2-METHYL-;2-(4-Chlorophenyl)-2-methyl-1,3-dioxolane-4-methanol;2-(p-Chlorphenyl)-2-methyl-4-hydroxymethyl-1,3-dioxolan;DTXSID80923480;NSC27587;1, 2-(p-chlorophenyl)-2-methyl-;1, 2-(4-chlorophenyl)-2-methyl-;NSC-27587;LS-62586;K-161

Chemical Property of 1,3-Dioxolan-4-methanol, 2-(p-chlorophenyl)-2-methyl-

Chemical Property:

• Vapor Pressure: 4.8E-05mmHg at 25°C
• Boiling Point: 335.2°C at 760 mmHg
• Flash Point: 156.5°C
• PSA: 38.69000
• Density: 1.243g/cm³
• LogP: 1.92040
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 228.0553220
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCC(O1)CO)C2=CC=C(C=C2)Cl
• Recent ClinicalTrials: A Study to Confirm the Efficacy and Safety of K-161 Ophthalmic Solution for Treatment of Moderate to Severe Dry Eye Disease

Technology Process of 1,3-Dioxolan-4-methanol, 2-(p-chlorophenyl)-2-methyl-

There total 1 articles about 1,3-Dioxolan-4-methanol, 2-(p-chlorophenyl)-2-methyl- 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:

para-chloroacetophenone (99-91-2) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 2-Methyl-2-(p-chlor-phenyl)-4-hydroxymethyl-1.3-dioxolan (1206-38-8)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; butan-1-ol; for 24h; Heating;

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

Reference yield: 78.0%

2-Methyl-2-(p-chlor-phenyl)-4-hydroxymethyl-1.3-dioxolan (1206-38-8) + p-toluenesulfonyl chloride (98-59-9) → Toluene-4-sulfonic acid 2-(4-chloro-phenyl)-2-methyl-[1,3]dioxolan-4-ylmethyl ester (172032-26-7)

Guidance literature:

With pyridine; 1.) 0 deg C, 1 h, 2.) RT, 48 h;

DOI:10.1016/0223-5234(96)88277-8

Reference yield:

2-Methyl-2-(p-chlor-phenyl)-4-hydroxymethyl-1.3-dioxolan (1206-38-8) → 1-[(2R,4R)-2-(4-Chloro-phenyl)-2-methyl-[1,3]dioxolan-4-ylmethyl]-1H-[1,2,4]triazole

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / pyridine / 1.) 0 deg C, 1 h, 2.) room temperature, 48 h

2: 67 percent / NaH / paraffin; dimethylformamide / 1.) room temperature, 1 h, 2.) 130 deg C, 12 h

With sodium hydride; In pyridine; N,N-dimethyl-formamide; paraffin;

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

upstream raw materials:

para-chloroacetophenone

glycerol

Downstream raw materials:

Toluene-4-sulfonic acid 2-(4-chloro-phenyl)-2-methyl-[1,3]dioxolan-4-ylmethyl ester

Refernces