1-Chloro-3-(4-methylphenoxy)propan-2-ol

Base Information

• Chemical Name: 1-Chloro-3-(4-methylphenoxy)propan-2-ol
• CAS No.: 4769-74-8
• Molecular Formula: C₁₀H₁₃ClO₂
• Molecular Weight: 200.665
• DSSTox Substance ID: DTXSID601278385
• Nikkaji Number: J31.157J
• Mol file: 4769-74-8.mol

Synonyms:4769-74-8;SCHEMBL1496592;DTXSID601278385;1-chloro-3-(4-methylphenoxy)-2-propanol

Chemical Property of 1-Chloro-3-(4-methylphenoxy)propan-2-ol

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 200.0604073
• Heavy Atom Count: 13
• Complexity: 133

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OCC(CCl)O

Technology Process of 1-Chloro-3-(4-methylphenoxy)propan-2-ol

There total 6 articles about 1-Chloro-3-(4-methylphenoxy)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: 87.0%

p-cresol (106-44-5) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → cresyl-glicidyl ether (2186-24-5) + 1-chloro-3-(4-methylphenoxy)-2-propanol (4769-74-8)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; potassium carbonate; at 110 ℃; for 0.116667h; microwave irradiation;

DOI:10.1016/j.tet.2006.08.067

Reference yield:

p-cresol (106-44-5) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → cresyl-glicidyl ether (2186-24-5) + 1,3-Dichloro-2-propanol (96-23-1) + 1,3-bis(4-methylphenoxy)propan-2-ol (14569-62-1) + 1-chloro-3-(4-methylphenoxy)-2-propanol (4769-74-8)

Guidance literature:

With quartenary ammonium salt; sodium 4-methylphenoxide; at 71 - 100 ℃; Kinetics; Mechanism;

DOI:10.1002/(SICI)1097-4601(1997)29:1<73::AID-KIN9>3.0.CO;2-I

Reference yield:

p-cresol (106-44-5) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-chloro-3-(4-methylphenoxy)-2-propanol (4769-74-8)

Guidance literature:

tin(IV) chloride; Rate constant;

upstream raw materials:

p-cresol

epichlorohydrin

tetrachloromethane

water

Downstream raw materials:

(+/-)-1-butylthio-3-(4-methylphenoxy)propan-2-ol

(S)-1-Chloro-3-p-tolyloxy-propan-2-ol

(R)-1-Chloro-3-p-tolyloxy-propan-2-ol

cresyl-glicidyl ether