2,4-Dichlorobenzyl alcohol

Base Information

• Chemical Name: 2,4-Dichlorobenzyl alcohol
• CAS No.: 1777-82-8
• Molecular Formula: C7H6Cl2O
• Molecular Weight: 177.03
• Hs Code.: 29062900
• European Community (EC) Number: 217-210-5
• NSC Number: 15635
• UNII: 1NKX3648J9
• DSSTox Substance ID: DTXSID9041362
• Nikkaji Number: J28.521H
• Wikipedia: 2,4-Dichlorobenzyl_alcohol
• Wikidata: Q209202
• NCI Thesaurus Code: C77047
• RXCUI: 22906
• Metabolomics Workbench ID: 56914
• ChEMBL ID: CHEMBL3184437
• Mol file: 1777-82-8.mol

Synonyms:dichlorobenzyl alcohol

Chemical Property of 2,4-Dichlorobenzyl alcohol

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.154Pa at 25℃
• Melting Point: 55-58 °C(lit.)
• Refractive Index: 1.5756 (estimate)
• Boiling Point: 268.4 °C at 760 mmHg
• PKA: 13.60±0.10(Predicted)
• Flash Point: 115 °C
• PSA: 20.23000
• Density: 1.392 g/cm³
• LogP: 2.48570
• Storage Temp.: 2-8°C
• Solubility.: 1g/l
• Water Solubility.: Soluble in water, methanol and chloroform.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.9795702
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

Rapidosept ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)CO
• Recent EU Clinical Trials: A randomised, multi-centre, parallel group, double-blind, placebo- and active-controlled clinical study to assess the efficacy and safety of Octenidine lozenges in the treatment of acute sore throat.
• Uses: An surgical antiseptic. 2,4-Dichlorobenzyl alcohol is an antiseptic found in commercially available throat lozenges. Also used deactivate Respiratory syncytial virus and SARS-Cov.

Technology Process of 2,4-Dichlorobenzyl alcohol

There total 27 articles about 2,4-Dichlorobenzyl 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: 98.0%

2,4-dichlorobenzaldeyhde (874-42-0) → (2,4-dichlorophenyl)methanol (1777-82-8)

Guidance literature:

With silica gel; sodium cyanoborohydride; for 0.0125h; regioselective reaction; Neat (no solvent); Microwave irradiation;

DOI:10.5012/bkcs.2010.31.10.2961

Reference yield: 97.0%

2,4 dichlorobenzoic acid (50-84-0) → (2,4-dichlorophenyl)methanol (1777-82-8)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In diethyl ether; at 20 ℃; for 1h; Temperature; Reagent/catalyst; Solvent;

Reference yield: 97.0%

2-((2,4-dichlorobenzyl)oxy)tetrahydro-2H-pyran (391200-38-7) → (2,4-dichlorophenyl)methanol (1777-82-8)

Guidance literature:

With methanol; at 20 ℃; for 1.58333h;

DOI:10.1007/s11164-015-2239-3

upstream raw materials:

2,4-dichlorobenzaldeyhde

2,4 dichlorobenzoic acid

miconasole nitrate

methyl 2,4-dichlorobenzoate

Downstream raw materials:

propionic acid-(2,4-dichloro-benzyl ester)

2-((2,4-dichlorobenzyl)oxy)acetic acid

3-(2,4-dichloro-benzyloxy)-quinoxalin-2-ylamine

(R)-3-(2,4-dichlorophenyl)-2-methylpropanoic acid

Refernces

• 1、 Yang, Jin,Yuan, Man,Xu, Dan,Zhao, Hong,Zhu, Yangyang,Fan, Menying,Zhang, Fengwei,Dong, Zhengping. "Highly dispersed ultrafine palladium nanoparticles encapsulated in a triazinyl functionalized porous organic polymer as a highly efficient catalyst for transfer hydrogenation of aldehydes". . p. 18242 - 18251. Retrieved 2018.
• 2、 Kumar, K. Anil,Gowda, D. Channe. "Reduction of aldehydes and ketones to corresponding alcohols using diammonium hydrogen phosphite and commercial zinc dust". . p. 49 - 52. Retrieved 2011.
• 3、 Battu, Satyanarayana,Joolakanti, Hima Bindhu,Kamepalli, Ramanjaneyulu,Miryala, Jeevanreddy. "Synthesis, Docking, and Biological activities of novel Metacetamol embedded [1,2,3]-triazole derivatives". . . Retrieved 2021/06/18.