(4-(Bromomethyl)phenyl)methanol

Base Information

• Chemical Name: (4-(Bromomethyl)phenyl)methanol
• CAS No.: 71831-21-5
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 2906299090
• European Community (EC) Number: 817-177-2
• DSSTox Substance ID: DTXSID50438192
• Nikkaji Number: J1.925.258B
• Wikidata: Q72446861
• Mol file: 71831-21-5.mol

Synonyms:(4-(BROMOMETHYL)PHENYL)METHANOL;71831-21-5;4-Bromomethylbenzyl alcohol;[4-(bromomethyl)phenyl]methanol;4-BROMO METHYLBENZYL ALCOHOL;4-(bromomethyl)benzyl alcohol;Benzenemethanol, 4-(bromomethyl)-;MFCD08275218;4-(bromomethyl)benzylalcohol;SCHEMBL506795;4-(Bromomethyl)benzenemethanol;(4-bromomethyl-phenyl)-methanol;DTXSID50438192;RDHSYXFAOVTAEH-UHFFFAOYSA-N;(4-(Bromomethyl)phenyl)methan-1-ol;1-bromomethyl-4-hydroxymethyl benzene;AKOS015998745;AM84228;CS-W018775;DS-16455;SY110926;FT-0690554;EN300-841403;A856468

Chemical Property of (4-(Bromomethyl)phenyl)methanol

Chemical Property:

• Melting Point: 76-77℃
• Boiling Point: 287.9±20.0 °C(Predicted)
• PKA: 14.26±0.10(Predicted)
• PSA: 20.23000
• Density: 1.514±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 2.07380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.98368
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

99% ^*data from raw suppliers

(4-(Bromomethyl)phenyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO)CBr

Technology Process of (4-(Bromomethyl)phenyl)methanol

There total 8 articles about (4-(Bromomethyl)phenyl)methanol 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%

Methyl 4-(bromomethyl)benzoate (2417-72-3) → 4-(bromomethyl)benzyl alcohol (71831-21-5)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; dichloromethane;

Reference yield: 99.0%

4-bromomethylbenzoic Acid (6232-88-8) → 4-(bromomethyl)benzyl alcohol (71831-21-5)

Guidance literature:

4-bromomethylbenzoic Acid; With borane-THF; In tetrahydrofuran; at 0 - 20 ℃;

With methanol; water; In tetrahydrofuran;

Reference yield: 94.0%

p-xylylene glycol (589-29-7) → 4-(bromomethyl)benzyl alcohol (71831-21-5)

Guidance literature:

With 1,1,1,2,2,2-hexamethyldisilane; In chloroform; for 3h; Reflux;

DOI:10.4314/bcse.v26i2.14

upstream raw materials:

Methyl 4-(bromomethyl)benzoate

p-xylylene glycol

4-bromomethylbenzoic Acid

4-methyl-benzoic acid methyl ester

Downstream raw materials:

4-(bromomethyl)benzyl alcohol acetate

1-(4-hydroxymethyl-benzyl)-8,15,22-trimethyl-1,8,15,22-triazonia-tricyclo(13.13.6.6^8,22)tetracontane tetracation

C₅₉H₁₁₄N₄O⁽⁴⁺⁾

{4-[4-(4-Hydroxymethyl-benzylsulfanylmethyl)-benzylsulfanylmethyl]-phenyl}-methanol

Refernces

• 1、 Audin, Catherine,Daran, Jean-Claude,Deydier, éric,Manoury, éric,Poli, Rinaldo. "New ferrocenyl P,O ligands with polar substituents". . p. 890 - 899. Retrieved 2010.
• 2、 -. "PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE". Paragraph 0917; 1076. . Retrieved 2020/07/07.