5-Bromo-2-methoxybenzyl alcohol

Base Information

• Chemical Name: 5-Bromo-2-methoxybenzyl alcohol
• CAS No.: 80866-82-6
• Molecular Formula: C8H9 Br O2
• Molecular Weight: 217.062
• Hs Code.: 29094990
• European Community (EC) Number: 279-586-7
• DSSTox Substance ID: DTXSID901001595
• Nikkaji Number: J149.818E
• Wikidata: Q72446127
• Mol file: 80866-82-6.mol

Synonyms:5-Bromo-2-methoxybenzyl alcohol;80866-82-6;(5-Bromo-2-methoxyphenyl)methanol;5-Bromo-2-methoxybenzylalcohol;Benzenemethanol, 5-bromo-2-methoxy-;5-Brom-2-methoxybenzyl alcohol;4-Bromo-2-(hydroxymethyl)anisole;EINECS 279-586-7;MFCD00004630;(5-Bromo-2-methoxy-phenyl)-methanol;2-METHOXY-5-BROMOBENZYL ALCOHOL;Benzenemethanol,5-bromo-2-methoxy-;5-BROMO-2-METHOXY BENZYLALCOHOL;SCHEMBL1145684;5-Bromo-2-methoxybenzenemethanol;HAOOGRLZVQWDBY-UHFFFAOYSA-;5-bromo-2-methoxyphenyl methanol;DTXSID901001595;HMS1745C21;BCP26801;CS-M0571;Benzyl alcohol, 5-bromo-2-methoxy-;CK2449;(5-Bromo-2-methoxyphenyl)methanol #;AKOS001123480;AC-4161;MB00140;PS-6132;5-Bromo-2-methoxybenzyl alcohol, 97%;SY034750;AM20041194;B3369;FT-0654343;EN300-13817;Z94602021

Chemical Property of 5-Bromo-2-methoxybenzyl alcohol

Chemical Property:

• Appearance/Colour: White to off-white crystalline powder
• Vapor Pressure: 0.000533mmHg at 25°C
• Melting Point: 68-71 °C(lit.)
• Refractive Index: 1.57
• Boiling Point: 299.4 °C at 760 mmHg
• Flash Point: 134.9 °C
• PSA: 29.46000
• Density: 1.513 g/cm³
• LogP: 1.95000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.97859
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

5-Bromo-2-methoxybenzyl alcohol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Br)CO

Technology Process of 5-Bromo-2-methoxybenzyl alcohol

There total 9 articles about 5-Bromo-2-methoxybenzyl 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-methoxyphenyl)methanol (612-16-8) → 5-bromo-2-methoxy-benzyl alcohol (80866-82-6)

Guidance literature:

With lithium bromide monohydrate; [bis(acetoxy)iodo]benzene; In 2,2,2-trifluoroethanol; at 20 ℃; for 0.166667h; regiospecific reaction;

DOI:10.1055/s-0037-1610980

Reference yield: 98.0%

5-bromo-2-methoxybenzaldehyde (25016-01-7) → 5-bromo-2-methoxy-benzyl alcohol (80866-82-6)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; water;

Reference yield: 90.0%

5-bromo-2-methoxy-N-methyl-N-(4-methylbenzenesulfonyl)benzenecarboxamide (1638291-19-6) → 5-bromo-2-methoxy-benzyl alcohol (80866-82-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/chem.201303923

upstream raw materials:

4-bromo-2-(chloromethyl)-1-methoxybenzene

5-bromo-2-methoxybenzaldehyde

5-bromo-2-hydroxybenzyl alcohol

methyl iodide

Downstream raw materials:

4-bromo-2-(chloromethyl)-1-methoxybenzene

[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

5-bromo-2-methoxybenzaldehyde

3-[3-(5-bromo-2-methoxy-benzyl)-2-oxo-2,3-dihydro-benzoimidazol-1-yl]-hexanoic acid

Refernces

• 1、 Peron, Florent,Fossey, Christine,Sopkova-Deoliveirasantos, Jana,Cailly, Thomas,Fabis, Frederic. "Room-temperature ortho-alkoxylation and -halogenation of N-tosylbenzamides by using palladium(II)-catalyzed C-H activation". . p. 7507 - 7513. Retrieved 2014/06/23.
• 2、 Iovkova-Berends, Ljuba,Waengler, Carmen,Zoeller, Thomas,Hoefner, Georg,Wanner, Klaus Theodor,Rensch, Christian,Bartenstein, Peter,Kostikov, Alexey,Schirrmacher, Ralf,Jurkschat, Klaus,Waengler, Bjoern. "T-Bu2SiF-derivatized D2-receptor ligands: The first SiFA-containing small molecule radiotracers for target-specific PET-imaging". experimental part. p. 7458 - 7479. Retrieved 2011/11/06.