2-(4-Chlorophenyl)-2-methylpropan-1-ol

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-2-methylpropan-1-ol
• CAS No.: 80854-14-4
• Molecular Formula: C10H13ClO
• Molecular Weight: 184.666
• Hs Code.: 2906299090
• European Community (EC) Number: 678-350-4
• DSSTox Substance ID: DTXSID40515946
• Nikkaji Number: J2.283.881D
• Wikidata: Q82377108
• Mol file: 80854-14-4.mol

Synonyms:80854-14-4;2-(4-Chlorophenyl)-2-methylpropan-1-ol;2-(4-Chlorophenyl)-2-methylpropanol;MFCD06657569;SCHEMBL1807039;DTXSID40515946;NJTICDHSNUXDFF-UHFFFAOYSA-N;2-methyl-2-(4-chlorophenyl)propanol;AKOS015889845;2-(4-Chlorophenyl)-2-methyl-1-propanol;AS-63629;SY055879;2-(4-chlorophenyl)-2-methyl-propan-1-ol;2-(4-chlorophenyl)-2-methylpropyl alcohol;C2176;CS-0213139;FT-0689888;D89494;EN300-1963948

Chemical Property of 2-(4-Chlorophenyl)-2-methylpropan-1-ol

Chemical Property:

• Vapor Pressure: 0.00559mmHg at 25°C
• Melting Point: 50 °C
• Refractive Index: 1.529
• Boiling Point: 262.2 °C at 760 mmHg
• PKA: 14.74±0.10(Predicted)
• Flash Point: 112.4 °C
• PSA: 20.23000
• Density: 1.115 g/cm³
• LogP: 2.60990
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 184.0654927
• Heavy Atom Count: 12
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Chlorophenyl)-2-methylpropanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Chlorophenyl)-2-methylpropan-1-ol

There total 3 articles about 2-(4-Chlorophenyl)-2-methylpropan-1-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: 99.0%

2-(4-chlorophenyl)-2-methylpropanoic acid (6258-30-6) → 2-(4-chlorophenyl)-2-methylpropyl alcohol (80854-14-4)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; at 20 ℃; for 3h; Heating / reflux;

Reference yield: 95.0%

methyl 2-(4-chlorophenyl)-2-methylpropanoate (57225-86-2) → 2-(4-chlorophenyl)-2-methylpropyl alcohol (80854-14-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.3390/molecules24061023

Reference yield:

2-(4-chlorophenyl)-2-methyl-1-chloropropane (13099-56-4) → 2-(4-chlorophenyl)-2-methylpropyl alcohol (80854-14-4)

Guidance literature:

With ammonium chloride; magnesium; iodine; In tetrahydrofuran;

upstream raw materials:

2-(4-chlorophenyl)-2-methylpropanoic acid

2-(4-chlorophenyl)-2-methyl-1-chloropropane

methyl 2-(4-chlorophenyl)-2-methylpropanoate

Downstream raw materials:

C₁₆H₁₆ClNO₃

α,α-dimethyl-(4-chlorophenyl)acetaldehyde

3-(4-bromophenoxy)-4-fluorobenzyl 2-(4-chlorophenyl)-2-methylpropyl ether

etofenprox