4-Bromo-2-methoxybenzyl alcohol

Base Information

• Chemical Name: 4-Bromo-2-methoxybenzyl alcohol
• CAS No.: 17102-63-5
• Molecular Formula: C8H9BrO2
• Molecular Weight: 217.062
• Hs Code.: 29094990
• European Community (EC) Number: 627-472-6
• DSSTox Substance ID: DTXSID00568655
• Nikkaji Number: J3.064.390I
• Wikidata: Q72446134
• Mol file: 17102-63-5.mol

Synonyms:4-Bromo-2-methoxybenzyl alcohol;17102-63-5;(4-bromo-2-methoxyphenyl)methanol;4-BROMO-2-METHOXYBENZYL ALCOHOL 97;(4-bromo-2-methoxy-phenyl)-methanol;MFCD07369762;Benzenemethanol, 4-bromo-2-methoxy-;UUG;4-Bromo-2-methoxybenzylalcohol;SCHEMBL1427602;DTXSID00568655;?4-Bromo-2-methoxybenzyl alcohol;CK2444;AKOS015916762;CS-W005395;4-Bromo-2-methoxybenzyl alcohol, 97%;AC-28549;DS-15225;SY066923;AM20030142;EN300-301070;A881961;J-010681;J-514665

Chemical Property of 4-Bromo-2-methoxybenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 66-70 °C(lit.)
• Refractive Index: 1.57
• Boiling Point: 290.555 °C at 760 mmHg
• PKA: 14.04±0.10(Predicted)
• Flash Point: 129.523 °C
• PSA: 29.46000
• Density: 1.513 g/cm³
• LogP: 1.95000
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 1.7
• 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:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)Br)CO
• Uses: It is used in azaquinone-methide-mediated depolymerization of aromatic carbamate oligomers.

Technology Process of 4-Bromo-2-methoxybenzyl alcohol

There total 3 articles about 4-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: 94.0%

methyl 4-bromo-2-methoxybenzoate (139102-34-4) → (4-bromo-2-methoxyphenyl)methanol (17102-63-5)

Guidance literature:

With lithium borohydride; In tetrahydrofuran; at 60 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.bmc.2013.11.009

Reference yield:

4-bromo-2-methoxybenzaldehyde (43192-33-2) → (4-bromo-2-methoxyphenyl)methanol (17102-63-5)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 2h;

DOI:10.3390/molecules18043872

Reference yield:

→ (4-bromo-2-methoxyphenyl)methanol (17102-63-5)

Guidance literature:

2-Methoxy-4-brombenzoesaeure-methylester, LiAlH4;

DOI:10.1002/jsfa.2740180801

upstream raw materials:

methyl 4-bromo-2-methoxybenzoate

4-bromo-2-methoxybenzaldehyde

Downstream raw materials:

4-bromo-2-methoxybenzaldehyde

4-Bromo-2-methoxy-1-((E)-2-nitro-propenyl)-benzene

(+/-)-1-(4-bromo-2-methoxyphenyl)-2-aminopropane

2-(4-bromo-2-methoxyphenyl)aminoethane

Refernces

• 1、 Wei, Zengquan,Wang, Jian,Liu, Mingliang,Li, Sujie,Sun, Lanying,Guo, Huiyuan,Wang, Bin,Lu, Yu. "Synthesis, in vitro antimycobacterial and antibacterial evaluation of IMB-070593 derivatives containing a substituted benzyloxime moiety". . p. 3872 - 3893. Retrieved 2013/06/05.
• 2、 Gensini, Martina,Altamura, Maria,Dimoulas, Tula,Fedi, Valentina,Giannotti, Danilo,Giuliani, Sandro,Guidi, Antonio,Harmat, Nicholas J. S.,Meini, Stefania,Nannicini, Rossano,Pasqui, Franco,Tramontana, Manuela,Triolo, Antonio,Maggi, Carlo Alberto. "Modulation on C- and N-terminal moieties of a series of potent and selective linear tachykinin NK2 receptor antagonists". experimental part. p. 65 - 78. Retrieved 2010/11/16.