(2S)-2-(4-Chlorophenoxy)propan-1-ol

Base Information

• Chemical Name: (2S)-2-(4-Chlorophenoxy)propan-1-ol
• CAS No.: 87810-51-3
• Molecular Formula: C₉H₁₁ClO₂
• Molecular Weight: 186.638
• European Community (EC) Number: 832-284-4
• DSSTox Substance ID: DTXSID50532609
• Nikkaji Number: J1.595.309H
• Wikidata: Q82405342

Synonyms:(2S)-2-(4-Chlorophenoxy)propan-1-ol;87810-51-3;1-Propanol, 2-(4-chlorophenoxy)-, (S)-;SCHEMBL23046356;DTXSID50532609;EN300-177042

Chemical Property of (2S)-2-(4-Chlorophenoxy)propan-1-ol

Chemical Property:

• PSA: 29.46000
• LogP: 2.09960
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 186.0447573
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

97% ^*data from raw suppliers

(2S)-2-(4-chlorophenoxy)propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CO)OC1=CC=C(C=C1)Cl
• Isomeric SMILES: C[C@@H](CO)OC1=CC=C(C=C1)Cl

Technology Process of (2S)-2-(4-Chlorophenoxy)propan-1-ol

There total 19 articles about (2S)-2-(4-Chlorophenoxy)propan-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: 99.49%

2-phenoxy-1-propanol (4169-04-4) → 2-(4-chlorophenoxy)-1-propanol (63650-24-8,87810-51-3)

Guidance literature:

With Santonox R; chlorine; at 50 ℃; for 0.5h;

Reference yield: 95.0%

cyclopropyl 4-(2-chlorophenoxy)butanoate (18671-89-1) → 2-(4-chlorophenoxy)-1-propanol (63650-24-8,87810-51-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.1002/ardp.19963290208

Reference yield: 59.0%

(S)-2-(4-chlorophenoxy)propionic acid (3307-39-9,20421-33-4,20421-34-5,20421-35-6) → (S)-2-(4-Chloro-phenoxy)-propan-1-ol (87810-51-3)

Guidance literature:

With borane; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/S0957-4166(01)00258-0

upstream raw materials:

2-(4-chlorophenoxy)propionic acid

cyclopropyl 4-(2-chlorophenoxy)butanoate

2-chloro-1-propanol

4-chloro-phenol

Downstream raw materials:

{4-[2-(4-Chloro-phenoxy)-propoxy]-phenyl}-acetic acid methyl ester

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