4-Bromo-3,5-dimethoxybenzyl alcohol

Base Information

• Chemical Name: 4-Bromo-3,5-dimethoxybenzyl alcohol
• CAS No.: 61367-62-2
• Molecular Formula: C9H11BrO3
• Molecular Weight: 247.089
• Hs Code.: 2909499000
• European Community (EC) Number: 820-817-3
• DSSTox Substance ID: DTXSID40456981
• Nikkaji Number: J1.348.149K
• Wikidata: Q72454780
• Mol file: 61367-62-2.mol

Synonyms:4-Bromo-3,5-dimethoxybenzyl alcohol;61367-62-2;4-Bromo-3,5-dimethoxybenzylalcohol;(4-bromo-3,5-dimethoxyphenyl)methanol;Benzenemethanol, 4-bromo-3,5-dimethoxy-;SCHEMBL918659;DTXSID40456981;TYICCDYGCBAFCB-UHFFFAOYSA-N;3,5-Dimethoxy-4-bromobenzyl alcohol;MFCD06658150;4-bromo-3,5-dimethoxyphenyl methanol;4-Bromo-3,5-di-methoxybenzyl alcohol;AKOS015888144;(4-bromo-3,5-dimethoxy-phenyl)-methanol;AS-15605;AM20040861;CS-0150624;FT-0600011;A18983;EN300-1707449;J-514706

Chemical Property of 4-Bromo-3,5-dimethoxybenzyl alcohol

Chemical Property:

• Vapor Pressure: 1.93E-05mmHg at 25°C
• Melting Point: 100-102oC
• Refractive Index: 1.555
• Boiling Point: 348.1 °C at 760 mmHg
• PKA: 13.85±0.10(Predicted)
• Flash Point: 164.4 °C
• PSA: 38.69000
• Density: 1.475 g/cm³
• LogP: 1.95860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.98916
• Heavy Atom Count: 13
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-3,5-dimethoxybenzylalcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1Br)OC)CO

Technology Process of 4-Bromo-3,5-dimethoxybenzyl alcohol

There total 8 articles about 4-Bromo-3,5-dimethoxybenzyl 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: 100.0%

4-bromo-3,5-dimethoxybenzoic acid (56518-42-4) → (4-bromo-3,5-dimethoxyphenyl)methanol (61367-62-2)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 40 ℃;

DOI:10.1021/ol0617291

Reference yield: 90.0%

methyl 4-bromo-3,5-dimethoxybenzoate (26050-64-6) → (4-bromo-3,5-dimethoxyphenyl)methanol (61367-62-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 8.25h; Inert atmosphere;

DOI:10.1016/j.tet.2014.01.009

Reference yield: 89.0%

ethyl 4-bromo-3,5-dimethoxybenzoate (745026-69-1) → (4-bromo-3,5-dimethoxyphenyl)methanol (61367-62-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.jnatprod.6b00350

upstream raw materials:

methyl 4-bromo-3,5-dimethoxybenzoate

3,5-dimethoxybenzyl alcohol

4-bromo-3,5-dimethoxybenzoic acid

3,5-dihydroxy-4-bromobenzoic acid

Downstream raw materials:

2-bromo-5-[(1-ethoxyethoxy)methyl]-1,3-dimethoxybenzene

2-bromo-5-[(1-isopropoxyethoxy)methyl]-1,3-dimethoxybenzene

2-bromo-1,3-dimethoxy-5-[(1-propoxyethoxy)methyl]benzene

2-bromo-1,3-dimethoxy-5-(methoxymethyl)benzene

Refernces

• 1、 Afonso, Carlos M. M.,Azevedo, Carlos M. G.,Bousbaa, Hassan,Ferreira, Helena,Henriques, Ana,Loureiro, Daniela R. P.,Magalh?es, álvaro F.,Neves, Nuno,Pinto, Joana,Pinto, Madalena M. M.,Reis, Salette,Soares, José X.,Vieira, Sara. "Yicathins B and C and Analogues: Total Synthesis, Lipophilicity and Biological Activities". supporting information. . Retrieved 2020/04/17.
• 2、 -. "INTEGRIN ANTAGONISTS". Page/Page column 58. . Retrieved 2018/05/24.