4,4'-Dimethoxybenzhydrol

Base Information

• Chemical Name: 4,4'-Dimethoxybenzhydrol
• CAS No.: 728-87-0
• Molecular Formula: C15H16O3
• Molecular Weight: 244.29
• Hs Code.: 29094990
• European Community (EC) Number: 211-975-9
• NSC Number: 5256
• UNII: 92M3YY8HRC
• DSSTox Substance ID: DTXSID70223123
• Nikkaji Number: J149.980G
• Wikidata: Q69757746
• Mol file: 728-87-0.mol

Synonyms:4,4'-Dimethoxybenzhydrol;728-87-0;Bis(4-methoxyphenyl)methanol;p,p'-Dimethoxybenzhydryl alcohol;Benzhydrol, 4,4'-dimethoxy-;4-Methoxy-4'-methoxybenzhydrol;Benzenemethanol, 4-methoxy-.alpha.-(4-methoxyphenyl)-;p,p'-Dimethoxybenzhydrol;Bis(p-methoxyphenyl)carbinol;92M3YY8HRC;NSC-5256;EINECS 211-975-9;NSC5256;MFCD00008410;Benzhydrol,4'-dimethoxy-;UNII-92M3YY8HRC;Oprea1_595275;Benzhydrol, 4,4'-dimethoxy;bis-(4-methoxyphenyl)methanol;SCHEMBL120187;[bis(4-methoxyphenyl)]methanol;bis-(4-methoxy-phenyl)methanol;bis-(4-methoxyphenyl)-methanol;Bis(4-methoxyphenyl)methanol #;bis-(4-methoxy-phenyl)-methanol;DTXSID70223123;4,4'-Dimethoxybenzhydrol, 99%;4,4\'-DIMETHOXYBENZHYDROL;NSC 5256;4,4'-DIMETHOXYDIPHENYLCARBINOL;AKOS000120638;CS-W018331;AS-59459;D2141;FT-0616996;EN300-20991;Benzenemethanol,4-methoxy-a-(4-methoxyphenyl)-;D77826;Benzenemethanol, 4-methoxy-alpha-(4-methoxyphenyl)-;Z104485970;4-METHOXY-.ALPHA.-(4-METHOXYPHENYL)BENZENEMETHANOL

Chemical Property of 4,4'-Dimethoxybenzhydrol

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Melting Point: 67-70 °C(lit.)
• Refractive Index: 1.5570 (estimate)
• Boiling Point: 406.5 °C at 760 mmHg
• PKA: 13.68±0.20(Predicted)
• Flash Point: 199.6 °C
• PSA: 38.69000
• Density: 1.135 g/cm3
• LogP: 2.78550
• Storage Temp.: Store below +30°C.
• Solubility.: methanol: 0.1 g/mL, clear
• Water Solubility.: Soluble in water (0.44 g/L @ 25°C), methanol (0.1 g/mL).
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 244.109944368
• Heavy Atom Count: 18
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

4,4''-Dimethoxybenzhydrol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)O
• Uses: 4,4?-Dimethoxybenzhydrol was used to study the kinetics and mechanism of oxidation of substituted benzhydrols to corresponding benzophenones in the presence of Hg(OAc)2 by N-bromosuccinimide. It is useful in the protection of glutamine and asparagine residues in peptide synthesis, reagent for the N-protection of amides.

Technology Process of 4,4'-Dimethoxybenzhydrol

There total 73 articles about 4,4'-Dimethoxybenzhydrol 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%

bis(p-methoxyphenyl)methanone (90-96-0) → 4,4'-Dimethoxybenzhydrol (728-87-0)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; ethanol; at 20 ℃;

DOI:10.1055/s-2006-942480

Reference yield: 97.0%

1-bromo-4-methoxy-benzene (104-92-7) + Methyl formate (107-31-3) → 4,4'-Dimethoxybenzhydrol (728-87-0)

Guidance literature:

1-bromo-4-methoxy-benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

Methyl formate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 4.16667h; Inert atmosphere;

DOI:10.1016/j.jorganchem.2018.01.055

Reference yield: 91.0%

4-methoxyphenylboronic acid (5720-07-0) + 4-methoxy-benzaldehyde (123-11-5) → 4,4'-Dimethoxybenzhydrol (728-87-0)

Guidance literature:

With tri-tert-butyl phosphine; {rhodium(acetylacetonate)(cis-cyclooctene)2}; In 1,2-dimethoxyethane; water; at 25 - 28 ℃; for 16h;

DOI:10.1021/jo000187c

upstream raw materials:

bis(p-methoxyphenyl)methanone

1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol

4-methoxy-benzaldehyde

4-methoxyphenyl magnesium bromide

Downstream raw materials:

diether

[2-(4,4'-dimethoxy-benzhydryloxy)-ethyl]-dimethyl-amine

1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol

isopropyl alcohol