5-Chlorosalicyl alcohol

Base Information

• Chemical Name: 5-Chlorosalicyl alcohol
• CAS No.: 5330-38-1
• Molecular Formula: C7H7ClO2
• Molecular Weight: 158.584
• Hs Code.: 2908199090
• European Community (EC) Number: 226-225-6
• NSC Number: 2468
• DSSTox Substance ID: DTXSID60201450
• Nikkaji Number: J298.010J
• Wikidata: Q63391606
• Mol file: 5330-38-1.mol

Synonyms:5330-38-1;5-Chloro-2-hydroxybenzyl alcohol;5-Chlorosalicyl alcohol;4-chloro-2-(hydroxymethyl)phenol;Benzenemethanol, 5-chloro-2-hydroxy-;4-chloro-2-hydroxymethylphenol;EINECS 226-225-6;AI3-24057;NSC2468;MFCD00021967;Saligenin, 5-chloro-;SCHEMBL1904046;DTXSID60201450;NSC 2468;NSC-2468;AKOS000249115;FS-1526;CS-0179475;FT-0635624;E72725;EN300-698224;A829501;A1-00455;Q63391606

Chemical Property of 5-Chlorosalicyl alcohol

Chemical Property:

• Vapor Pressure: 0.00862mmHg at 25°C
• Melting Point: 90 °C
• Refractive Index: 1.611
• Boiling Point: 258.2 °C at 760 mmHg
• PKA: 9.48±0.18(Predicted)
• Flash Point: 110 °C
• PSA: 40.46000
• Density: 1.395g/cm³
• LogP: 1.53790
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 158.0134572
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloro-2-hydroxybenzylAlcohol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CO)O

Technology Process of 5-Chlorosalicyl alcohol

There total 21 articles about 5-Chlorosalicyl alcohol 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: 97.0%

5-chloro-2-hydroxybenzoic acid (321-14-2) → 4-chloro-2-hydroxymethylphenol (5330-38-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 0.75h; Heating;

DOI:10.1021/jo00268a020

Reference yield: 80.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-chloro-phenol (106-48-9,82344-39-6) → 4-chloro-2-hydroxymethylphenol (5330-38-1)

Guidance literature:

With sodium metaborate tetrahydrate; In water; at 40 ℃; for 30h; regioselective reaction; Green chemistry;

DOI:10.1039/c4ob00228h

Reference yield: 67.0%

4-chloro-phenol (106-48-9,82344-39-6) → 4-chloro-2-hydroxymethylphenol (5330-38-1)

Guidance literature:

In 1,2-dimethoxyethane; xylene; at 135 ℃; for 12h;

DOI:10.1055/s-1980-28942

upstream raw materials:

methanol

2,5-dichlorobenzyl alcohol

sodium methylate

5-chloro-2-hydroxybenzoic acid

Downstream raw materials:

2,2'-methylenebis(4-chlorophenol)

2-acetoxy-5-chlorobenzyl acetate

2-(4-Chloro-2-hydroxymethyl-phenoxy)-1-phenyl-ethanone

1-(4-Bromo-phenyl)-2-(4-chloro-2-hydroxymethyl-phenoxy)-ethanone

Refernces

• 1、 Yagiz, Güler,Noma, Samir Abbas Ali,Altundas, Aliye,Al-khafaji, Khattab,Taskin-Tok, Tugba,Ates, Burhan. "Synthesis, inhibition properties against xanthine oxidase and molecular docking studies of dimethyl N-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate and (N-benzyl-1H-1,2,3-triazole-4,5-diyl)dimethanol derivatives". . . Retrieved 2021/01/28.
• 2、 Assoah, Benedicta,Vale, Jo?o R.,Kalenius, Elina,Veiros, Luis F.,Candeias, Nuno R.. "Lewis Base Catalyzed Intramolecular Reduction of Salicylaldehydes by Pinacol-Derived Chlorohydrosilane". supporting information. p. 2910 - 2917. Retrieved 2018/06/27.