2,5-Dichlorobenzyl alcohol

Base Information

• Chemical Name: 2,5-Dichlorobenzyl alcohol
• CAS No.: 34145-05-6
• Molecular Formula: C7H6Cl2O
• Molecular Weight: 177.03
• Hs Code.: 2906299090
• European Community (EC) Number: 251-850-6
• UNII: QG5983X4A6
• DSSTox Substance ID: DTXSID60187745
• Nikkaji Number: J3.807E
• Wikidata: Q63409386
• ChEMBL ID: CHEMBL2323840
• Mol file: 34145-05-6.mol

Synonyms:(2,5-dichlorophenyl)methanol;2,5-Dichlorobenzyl alcohol;34145-05-6;Benzenemethanol, 2,5-dichloro-;2,5-Dichlorobenzylic alcohol;EINECS 251-850-6;(2,5-Dichloro-phenyl)-methanol;2,5-dichlorobenzylalcohol;2,5-Dichlorobenzenemethanol;2.5-Dichlorobenzyl alcohol;2,5-Dichloro Benzylalcohol;2,5-dichloro-benzyl alcohol;SCHEMBL92968;CHEMBL2323840;DTXSID60187745;QG5983X4A6;2,5-Dichlorobenzyl alcohol, 99%;AMY28993;CK2310;MFCD00004607;2,4-Dichlorobenzyl alcohol impurity A;AKOS009156834;DS-4897;CS-0157663;FT-0610309;EN300-129590;A822096;J-019467;Q63409386;Z397587502;2,4-Dichlorobenzyl alcohol impurity A, European Pharmacopoeia (EP) Reference Standard

Chemical Property of 2,5-Dichlorobenzyl alcohol

Chemical Property:

• Appearance/Colour: white fine crystalline powder
• Vapor Pressure: 0.00452mmHg at 25°C
• Melting Point: 79-80 °C (lit. )
• Refractive Index: 1.582
• Boiling Point: 265.7 °C at 760 mmHg
• PKA: 13.69±0.10(Predicted)
• Flash Point: 114.3 °C
• PSA: 20.23000
• Density: 1.392 g/cm³
• LogP: 2.48570
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• 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:

98%,99%, ^*data from raw suppliers

2,5-Dichlorobenzyl alcohol 99% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-Dichlorobenzyl alcohol

There total 8 articles about 2,5-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: 89.0%

methyl 2,5-dichlorobenzoate (2905-69-3,1242336-94-2) → 2,5-dichlorobenzyl alcohol (34145-05-6)

Guidance literature:

With C₁₅H₂₉MnNO₃P₂⁽¹⁺⁾*Br^(1-); potassium tert-butylate; hydrogen; In 1,4-dioxane; at 110 ℃; for 24h; under 22502.3 Torr; Inert atmosphere; Autoclave;

DOI:10.1002/anie.201607233

Reference yield: 86.0%

2,5-dichloro-N,N-dimethylbenzamide → 2,5-dichlorobenzyl alcohol (34145-05-6)

Guidance literature:

With sodium hydride; sodium iodide; zinc(II) iodide; In tetrahydrofuran; mineral oil; at 40 ℃; for 5h; Sealed tube;

DOI:10.1002/anie.201900233

Reference yield:

2,5-dichloro-benzaldehyde (6361-23-5) → 2,5-dichlorobenzyl alcohol (34145-05-6) + 2,5-dichlorobenzoic acid (50-79-3)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

2,5-dichloro-benzaldehyde

1,4-Dichloro-2-chloromethyl-benzene

benzaldehyde

methyl 2,5-dichlorobenzoate

Refernces

• 1、 Ong, Derek Yiren,Yen, Zhihao,Yoshii, Asami,Revillo Imbernon, Julia,Takita, Ryo,Chiba, Shunsuke. "Controlled Reduction of Carboxamides to Alcohols or Amines by Zinc Hydrides". . p. 4992 - 4997. Retrieved 2019/03/13.
• 2、 Elangovan, Saravanakumar,Garbe, Marcel,Jiao, Haijun,Spannenberg, Anke,Junge, Kathrin,Beller, Matthias. "Hydrogenation of Esters to Alcohols Catalyzed by Defined Manganese Pincer Complexes". supporting information. p. 15364 - 15368. Retrieved 2016/12/03.