4-(4-Fluorobenzyloxy)benzyl alcohol

Base Information

• Chemical Name: 4-(4-Fluorobenzyloxy)benzyl alcohol
• CAS No.: 117113-98-1
• Molecular Formula: C14H13FO2
• Molecular Weight: 232.254
• Hs Code.: 2906290090
• DSSTox Substance ID: DTXSID00371964
• Wikidata: Q82159531
• Mol file: 117113-98-1.mol

Synonyms:117113-98-1;4-(4-Fluorobenzyloxy)benzyl alcohol;(4-((4-fluorobenzyl)oxy)phenyl)methanol;[4-[(4-fluorophenyl)methoxy]phenyl]methanol;{4-[(4-fluorophenyl)methoxy]phenyl}methanol;4-(4-Fluorobenzyloxy)benzylalcohol;{4-[(4-fluorobenzyl)oxy]phenyl}methanol;Maybridge3_000507;Oprea1_735147;SCHEMBL713596;DTXSID00371964;FNWSEJASZBRBDB-UHFFFAOYSA-N;HMS1432H01;BBL034252;MFCD00173648;STL418882;4-(4'-fluorobenzyloxy)benzyl alcohol;(4-(4-fluorobenzyloxy)phenyl)methanol;AKOS000249075;4-(4-fluoro-benzyloxy)-benzyl alcohol;IDI1_011894;VS-12465;[4-(4-Fluoro-benzyloxy)-phenyl]-methanol;CS-0324884;FT-0616628;A803715

Chemical Property of 4-(4-Fluorobenzyloxy)benzyl alcohol

Chemical Property:

• Vapor Pressure: 2.47E-06mmHg at 25°C
• Melting Point: 106-108 °C
• Refractive Index: 1.579
• Boiling Point: 376.4 °C at 760 mmHg
• PKA: 14.48±0.10(Predicted)
• Flash Point: 172.5 °C
• PSA: 29.46000
• Density: 1.208 g/cm³
• LogP: 2.89700
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 232.08995782
• Heavy Atom Count: 17
• Complexity: 206

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-FLUOROBENZYLOXY)BENZYL ALCOHOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO)OCC2=CC=C(C=C2)F

Technology Process of 4-(4-Fluorobenzyloxy)benzyl alcohol

There total 6 articles about 4-(4-Fluorobenzyloxy)benzyl 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: 95.0%

4-((4-fluorobenzyl)oxy)benzaldehyde (56442-17-2) → [4-(4-Fluoro-benzyloxy)-phenyl]-methanol (117113-98-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 3h;

DOI:10.1016/j.bmcl.2014.10.092

Reference yield:

(4-hydroxyphenyl)methanol (623-05-2) → [4-(4-Fluoro-benzyloxy)-phenyl]-methanol (117113-98-1)

Guidance literature:

With caesium carbonate; In acetonitrile; at 25 ℃;

DOI:10.1016/j.bmcl.2007.04.046

Reference yield:

(4-hydroxyphenyl)methanol (623-05-2) + 4-Fluorobenzyl bromide (459-46-1) → [4-(4-Fluoro-benzyloxy)-phenyl]-methanol (117113-98-1)

Guidance literature:

upstream raw materials:

(4-hydroxyphenyl)methanol

4-Fluorobenzyl bromide

4-((4-fluorobenzyl)oxy)benzaldehyde

4-hydroxy-benzaldehyde

Downstream raw materials:

4-(4-fluorobenzyloxy)benzyl chloride

(4-((4-fluorobenzyl)oxy)phenyl)methanamine

C₂₆H₂₅FO₄S

Refernces

• 1、 -. "Sophoridine pyrrole, indole derivative and preparation method and application thereof". Paragraph 0191; 0193; 0196; 0202. . Retrieved 2018/09/08.
• 2、 Bratton, Larry D.,Filzen, Gary F.,Geyer, Andrew,Hoffman, Jennifer K.,Lu, Gina,Pulaski, Jim,Trivedi, Bharat K.,Unangst, Paul C.,Xu, Xiangyang. "Discovery of highly potent and selective benzyloxybenzyl-based peroxisome proliferator-activator receptor (PPAR) δ agonists". . p. 3624 - 3629. Retrieved 2008/02/13.