1-Chloro-3-ethoxypropan-2-ol

Base Information

• Chemical Name: 1-Chloro-3-ethoxypropan-2-ol
• CAS No.: 4151-98-8
• Molecular Formula: C5H11 Cl O2
• Molecular Weight: 138.594
• Hs Code.: 2909499000
• European Community (EC) Number: 654-320-6
• DSSTox Substance ID: DTXSID00338214
• Nikkaji Number: J109.077A
• Mol file: 4151-98-8.mol

Synonyms:1-chloro-3-ethoxypropan-2-ol;4151-98-8;1-Chloro-3-ethoxy-2-propanol;2-Propanol, 1-chloro-3-ethoxy-;3-Ethoxy-1-chloro-2-propanol;1-Ethoxy-2-hydroxy-3-chloropropane;SCHEMBL8735469;DTXSID00338214;AKOS000348992;AKOS016340888;SB84248;BB 0218014;CS-0116998

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

Chemical Property:

• Vapor Pressure: 0.0785mmHg at 25°C
• Refractive Index: 1.4458
• Boiling Point: 171-172 ºC
• PKA: 13.29±0.20(Predicted)
• Flash Point: 75 ºC
• PSA: 29.46000
• Density: 1.093
• LogP: 0.62260
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 138.0447573
• Heavy Atom Count: 8
• Complexity: 49.7

Purity/Quality:

99% ^*data from raw suppliers

1-CHLORO-3-ETHOXY-2-PROPANOL Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCC(CCl)O

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

There total 10 articles about 1-Chloro-3-ethoxypropan-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: 99.0%

ethanol (64-17-5) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-ethoxy-3-chloro-propan-2-ol (4151-98-8)

Guidance literature:

With boron trifluoride diethyl etherate; Heating;

DOI:10.1021/ja020454r

Reference yield: 70.0%

2-(ethoxymethyl)oxirane (4016-11-9) → 1-ethoxy-3-chloro-propan-2-ol (4151-98-8)

Guidance literature:

With sodium chlorodifluoroacetate; In N,N-dimethyl-formamide; for 1h; Heating;

DOI:10.1139/v04-093

Reference yield: 60.0%

ethanol (64-17-5) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-ethoxy-3-chloro-propan-2-ol (4151-98-8) + 1-(β-ethoxy-β'-chloro-isopropoxy)-3-chloro-propan-2-ol (70602-92-5)

Guidance literature:

Montmorillonite K 10; In tetrachloromethane; for 2.5h; Heating;

upstream raw materials:

ethanol

epichlorohydrin

diethyl ether

2-(ethoxymethyl)oxirane

Downstream raw materials:

1-ethoxy-3-phenoxy-propan-2-ol

o-(Ethoxy-3-hydroxy-2-propoxy)-benzoesaeureaethylester

Chloro-(1-chloromethyl-2-ethoxy-ethoxy)-diphenyl-silane

N,N-bis-(3-ethoxy-2-hydroxy-propyl)-aniline

Refernces

• 1、 Amerhanova, Syumbelya K.,Dimukhametov, Mudaris N.,Gubaidullin, Aidar T.,Islamov, Daut R.,Litvinov, Igor A.,Lyubina, Anna P.,Mironov, Vladimir F.,Nemtarev, Andrey V.,Pashirova, Tatiana N.,Titov, Eugenii A.,Tsepaeva, Olga V.,Voloshina, Alexandra D.. "Rational design 2-hydroxypropylphosphonium salts as cancer cell mitochondria-targeted vectors: Synthesis, structure, and biological properties". . . Retrieved 2021/11/01.
• 2、 Leal-Duaso, Alejandro,Gracia-Barberán, Sara,Mayoral, José A.,Garciá, José I.,Pires, Elisabet. "Readily Scalable Methodology for the Synthesis of Nonsymmetric Glyceryl Diethers by a Tandem Acid-/Base-Catalyzed Process". . p. 154 - 162. Retrieved 2020/02/04.