3,5-Dichlorobenzyl alcohol

Base Information

• Chemical Name: 3,5-Dichlorobenzyl alcohol
• CAS No.: 60211-57-6
• Molecular Formula: C7H6Cl2O
• Molecular Weight: 177.03
• Hs Code.: 29062990
• European Community (EC) Number: 262-109-1
• DSSTox Substance ID: DTXSID10208959
• Nikkaji Number: J90.093A
• Wikidata: Q72465593
• Mol file: 60211-57-6.mol

Synonyms:3,5-DICHLOROBENZYL ALCOHOL;60211-57-6;(3,5-Dichlorophenyl)methanol;Benzenemethanol, 3,5-dichloro-;3,5-Dichlorobenzylalcohol;3,5-Dichlorobenzylic alcohol;MFCD00004634;3.5-dichlorobenzyl alcohol;EINECS 262-109-1;3,5-DICHLOROBENZENEMETHANOL;3,5-dichlorophenylmethanol;Bionet2_000905;3,5-Dichloro Benzylalcohol;SCHEMBL92904;(3,5-Dichlorophenyl)-methanol;(3,5-dichloro-phenyl)-methanol;(3,5-Dichlorophenyl)methanol #;VSNNLLQKDRCKCB-UHFFFAOYSA-;DTXSID10208959;CHEBI:194743;HMS1366J03;3,5-Dichlorobenzyl alcohol, 98%;STR03140;BBL101112;STL554908;AKOS005257028;CS-W017385;AC-26186;SY017960;A8415;AM20060147;D3791;FT-0614561;EN300-177819;10G-918;Z397587406

Chemical Property of 3,5-Dichlorobenzyl alcohol

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00382mmHg at 25°C
• Melting Point: 79-82 °C(lit.)
• Refractive Index: 1.582
• Boiling Point: 268.4 °C at 760 mmHg
• PKA: 13.79±0.10(Predicted)
• Flash Point: 115 °C
• PSA: 20.23000
• Density: 1.392 g/cm³
• LogP: 2.48570
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.9795702
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

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

3,5-Dichlorobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 36/37/39-26-22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)CO
• Uses: 3,5-Dichlorobenzyl Alcohol is a useful research chemical. 3,5-Dichlorobenzyl alcohol was used in the preparation of 3,5-dichlorophenylacetonitrile via reaction with boiling SOCl2, followed by reaction with NaCN. It was also used in the synthesis of tert-butyl 2-cyano-3-(3,5-dichlorophenyl)-propanoate via Iridium-catalysed alkylation of tert-butyl cyanoacetate.

Technology Process of 3,5-Dichlorobenzyl alcohol

There total 9 articles about 3,5-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: 95.1%

3,5-dichlorobenzoyl chloride (2905-62-6) → 3,5-dichlorobenzyl alcohol (60211-57-6)

Guidance literature:

With potassium borohydride; zinc(II) chloride; In tetrahydrofuran; at 45 ℃; for 5h; Reagent/catalyst; Large scale;

Reference yield: 95.0%

3,5-dichlorobenzaldehyde (10203-08-4) → 3,5-dichlorobenzyl alcohol (60211-57-6)

Guidance literature:

With sodium tetrahydridoborate; In methanol; at 0 - 20 ℃; for 5h;

DOI:10.1016/j.ejmech.2022.114310

Reference yield: 90.0%

3,5-dichlorobenzyl tert-butyldimethylsilyl ether → 3,5-dichlorobenzyl alcohol (60211-57-6)

Guidance literature:

With methanol; at 20 ℃; for 2.5h;

DOI:10.1080/10426507.2019.1576680

upstream raw materials:

3,5-dichlorobenzaldehyde

3,5-dichlorobenzoic acid

methyl 3,5-dichlorobenzoate

1,3-dichloro-5-dichloromethyl-benzene

Downstream raw materials:

3,5-dichlorobenzyl bromide

3,5-dichlorobenzyl triflate

C₁₃H₁₂Cl₂N₂O₂

5-(2-Piperidino-ethyl)-2-methyl-1H-indole-3-carboxylic acid 3,5-dichloro-benzyl ester

Refernces

• 1、 -. "Preparation method of 3, 5-dichlorobenzaldehyde and carboxamide triazole intermediate". Paragraph 0045. . Retrieved 2021/02/10.
• 2、 -. "N-(Substituted sulfonyl)benzamide derivative and preparation method and pharmaceutical application thereof". Paragraph 0329; 0331-0335. . Retrieved 2019/04/17.