1,3-Dichloro-2-phenylpropan-2-ol

Base Information

• Chemical Name: 1,3-Dichloro-2-phenylpropan-2-ol
• CAS No.: 87234-28-4
• Molecular Formula: C9H10Cl2O
• Molecular Weight: 205.084
• NSC Number: 30272
• DSSTox Substance ID: DTXSID90283183
• Wikidata: Q82017662
• Mol file: 87234-28-4.mol

Synonyms:1,3-dichloro-2-phenylpropan-2-ol;87234-28-4;NSC30272;1,3-dichloro-2-hydroxy-2-phenylpropane;SCHEMBL8764225;DTXSID90283183;XNWMBCIVHSJEIG-UHFFFAOYSA-N;NSC-30272;E86823

Chemical Property of 1,3-Dichloro-2-phenylpropan-2-ol

Chemical Property:

• Vapor Pressure: 0.000155mmHg at 25°C
• Boiling Point: 318.1°Cat760mmHg
• Flash Point: 128.3°C
• Density: 1.282g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 204.0108703
• Heavy Atom Count: 12
• Complexity: 129

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Dichloro-2-phenylpropan-2-ol

There total 10 articles about 1,3-Dichloro-2-phenylpropan-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: 96.0%

phenyllithium (591-51-5) + 1,3-Dichloroacetone (534-07-6) → 1,3-dichloro-2-hydroxy-2-phenylpropane (87234-28-4)

Guidance literature:

phenyllithium; With cerium(III) chloride; In tetrahydrofuran; diethyl ether; cyclohexane; at -78 ℃; for 0.666667h;

1,3-Dichloroacetone; In tetrahydrofuran; diethyl ether; cyclohexane; at -78 ℃; for 0.166667h;

DOI:10.1002/jccs.200300130

Reference yield: 90.0%

bromobenzene (108-86-1,52753-63-6) + 1,3-Dichloroacetone (534-07-6) → 1,3-dichloro-2-hydroxy-2-phenylpropane (87234-28-4)

Guidance literature:

bromobenzene; With magnesium; In diethyl ether; for 1h; Reflux; Inert atmosphere;

1,3-Dichloroacetone; In diethyl ether; at -20 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1039/d0ob01577f

Reference yield: 81.0%

phenylmagnesium bromide + 1,3-Dichloroacetone (534-07-6) → 1,3-dichloro-2-hydroxy-2-phenylpropane (87234-28-4)

Guidance literature:

With magnesium bromide ethyl etherate; In diethyl ether; for 7h;

DOI:10.1055/s-1983-30459

upstream raw materials:

1,1-Dichloroacetone

methylmagnesium bromide

bromobenzene

1,3-Dichloroacetone

Downstream raw materials:

8-nitro-3-phenylquinoline

2-hydroxy-2-phenyl-propane-1,3-disulfonic acid

3-hydroxy-2-phenylpropene

2-phenyl-2-(chloromethyl)oxirane