3-Chloro-2-phenylpropan-1-ol

Base Information

• Chemical Name: 3-Chloro-2-phenylpropan-1-ol
• CAS No.: 6274-58-4
• Molecular Formula: C₉H₁₁ClO
• Molecular Weight: 170.639
• NSC Number: 37487
• DSSTox Substance ID: DTXSID50284499
• Nikkaji Number: J1.613.811H
• Mol file: 6274-58-4.mol

Synonyms:6274-58-4;3-chloro-2-phenylpropan-1-ol;3-chloro-2-phenyl-propan-1-ol;NSC37487;3-Chloro-2-phenyl-1-propanol;SCHEMBL8032906;DTXSID50284499;NSC 37487;NSC-37487

Chemical Property of 3-Chloro-2-phenylpropan-1-ol

Chemical Property:

• Vapor Pressure: 0.00113mmHg at 25°C
• Boiling Point: 287.8°C at 760 mmHg
• Flash Point: 128.3°C
• Density: 1.149g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 99.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-2-phenylpropan-1-ol

There total 3 articles about 3-Chloro-2-phenylpropan-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: 40.0%

2-phenylpropane-1, 3-diol (1570-95-2) → 3-chloro-2-phenyl-1-propanol (6274-58-4)

Guidance literature:

With tetrachloromethane; triphenylphosphine; In dichloromethane;

DOI:10.1016/S0957-4166(01)00083-0

Reference yield:

3-phenyloxetane (10317-13-2) → 3-chloro-2-phenyl-1-propanol (6274-58-4)

Guidance literature:

With triethylsilyl chloride; (S)-6,6'-bis(2,4,6-triisopropylphenyl)-1,1'-spirobiindane-7,7'-diyl hydrogenphosphate; In water; toluene; at 20 ℃; for 12h; Reagent/catalyst; Molecular sieve;

DOI:10.1002/anie.201601844

Reference yield:

→ 3-chloro-2-phenyl-1-propanol (6274-58-4)

Guidance literature:

/BRN= 41461/, Deacetylierung;

upstream raw materials:

2-phenylpropane-1, 3-diol

3-phenyloxetane