2-(4-Chlorophenyl)propan-2-ol

Base Information

• Chemical Name: 2-(4-Chlorophenyl)propan-2-ol
• CAS No.: 1989-25-9
• Molecular Formula: C9H11 Cl O
• Molecular Weight: 170.639
• Hs Code.: 2906299090
• European Community (EC) Number: 217-865-7
• DSSTox Substance ID: DTXSID00173647
• Nikkaji Number: J28.522F
• Wikidata: Q83043691
• Mol file: 1989-25-9.mol

Synonyms:2-(4-chlorophenyl)propan-2-ol;1989-25-9;p-Chloro-alpha,alpha-dimethylbenzyl alcohol;2-(4-Chlorophenyl)-2-propanol;EINECS 217-865-7;SCHEMBL1016971;AMY4666;DTXSID00173647;2-(4-chloro-phenyl)-propan-2-ol;2-(4-Chlorophenyl)-2-propanol #;BAA98925;MFCD11870102;AKOS009996843;SB84106;AS-64058;C3324;CS-0208167;1-(4-CHLOROPHENYL)-1-METHYL ETHANOL;EN300-66125;Benzenemethanol, 4-chloro-alpha,alpha-dimethyl-;T70521;Benzenemethanol, 4-chloro-.alpha.,.alpha.-dimethyl-

Chemical Property of 2-(4-Chlorophenyl)propan-2-ol

Chemical Property:

• Vapor Pressure: 0.0117mmHg at 25°C
• Melting Point: 31-32 °C
• Boiling Point: 250°Cat760mmHg
• PKA: 14.29±0.29(Predicted)
• Flash Point: 105°C
• PSA: 20.23000
• Density: 1.144g/cm³
• LogP: 2.56740
• Solubility.: soluble in Methanol
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

98%Min ^*data from raw suppliers

2-(4-chlorophenyl)propan-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)Cl)O

Technology Process of 2-(4-Chlorophenyl)propan-2-ol

There total 23 articles about 2-(4-Chlorophenyl)propan-2-ol 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: 90.0%

Methyl 4-chlorobenzoate (1126-46-1) + methyl iodide (74-88-4) → 4-chlorocumyl alcohol (1989-25-9)

Guidance literature:

With strontium; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1002/ejoc.200500484

Reference yield: 89.0%

3-[2-(4-chlorophenyl)-prop-2-oxy]-5-(4-methoxyphenyl)-4-methylthiazole-2(3H)-thione + Bromotrichloromethane (75-62-7) + norbornene (498-66-8) → 3-bromo-2-exo-(trichloromethyl)bicyclo[2.2.1]heptane + 4-chlorocumyl alcohol (1989-25-9) + 2-exo-3-exo-2-bromo-3-(2-(4-chlorophenyl)prop-2-oxy)bicyclo[2.2.1]heptane + 2-endo-3-exo-2-bromo-3-(2-(4-chlorophenyl)prop-2-oxy)bicyclo[2.2.1]heptane + 2-(3-chlorobicyclo[2.2.1]hept-2-ylsulfanyl)-5-(4-methoxyphenyl)-4-methylthiazole + para-chloroacetophenone (99-91-2)

Guidance literature:

In α,α,α-trifluorotoluene; at 25 ℃; optical yield given as %de; diastereoselective reaction; Photolysis;

DOI:10.1016/j.tet.2010.12.071

Reference yield: 80.0%

methylmagnesium bromide (75-16-1) + para-chloroacetophenone (99-91-2) → 4-chlorocumyl alcohol (1989-25-9)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 20 ℃; for 12h;

upstream raw materials:

methyl magnesium iodide

ethyl 4-chlorobenzoate

para-chloroacetophenone

(4-chlorphenyl)magnesium bromide

Downstream raw materials:

1-chloro-4-(1-methylethenyl)-benzene

2,3-Bis(4-chlorphenyl)-2,3-dimethylbutan

1-chloro-4-(α-chloro-isopropyl)-benzene

N-[1-(4-chlorophenyl)-1-methylethyl]-acrylamide

Refernces

• 1、 -. "LIGHT INDUCED CATALYTIC C-H OXYGENATION OF ALKANES". Paragraph 00201; 00207; 00218. . Retrieved 2021/04/02.
• 2、 -. "CARBAZOLE BASED COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME". Paragraph 0214-0217. . Retrieved 2018/02/21.