Phenol, 2,2'-methylenebis[4-methyl-

Base Information

• Chemical Name: Phenol, 2,2'-methylenebis[4-methyl-
• CAS No.: 3236-63-3
• Molecular Formula: C15H16 O2
• Molecular Weight: 228.291
• Hs Code.: 2907299090
• European Community (EC) Number: 221-794-7
• DSSTox Substance ID: DTXSID0062923
• Nikkaji Number: J262.342K
• Wikidata: Q81990365
• ChEMBL ID: CHEMBL2392657
• Mol file: 3236-63-3.mol

Synonyms:3236-63-3;2,2'-Methylenebis(4-methylphenol);Phenol, 2,2'-methylenebis[4-methyl-;2,2-methylenebis(4-methylphenol);2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;Phenol, 2,2'-methylenebis(4-methyl-;2,2'-Methylenedi-p-cresol;EINECS 221-794-7;2,2'-Methylene-bis(4-methylphenol);Bis(2-hydroxy-5-methylphenyl)methane;ammoniumiodide;SCHEMBL50622;2,2'-methylene bis-p-cresol;2,2'-Methylenebis(p-cresol);p-Cresol, 2,2'-methylenedi-;CHEMBL2392657;DTXSID0062923;MFCD00155176;AKOS015839106;6,6'-Dioxy-3,3'-dimethyldiphenylmethan;BS-44019;CS-0327866;FT-0634739;M1134;2,2'-Dihydroxy-5,5'-dimethyldiphenylmethane;D78422;A821247

Chemical Property of Phenol, 2,2'-methylenebis[4-methyl-

Chemical Property:

• Melting Point: 125°C
• Boiling Point: 386.3°Cat760mmHg
• PKA: 9.98±0.43(Predicted)
• Flash Point: 184.1°C
• PSA: 40.46000
• Density: 1.151g/cm³
• LogP: 3.30540
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 228.115029749
• Heavy Atom Count: 17
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

2,2''-Methylenebis(4-methylphenol) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)CC2=C(C=CC(=C2)C)O
• Uses: 2,2''-Methylenebis(4-methylphenol) is used in preparation of bicyclic metal platinum(II) complexes with pyridazine derivative ligands application in organic electroluminescent devices.

Technology Process of Phenol, 2,2'-methylenebis[4-methyl-

There total 17 articles about Phenol, 2,2'-methylenebis[4-methyl- 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: 82.0%

2,2'-dihydroxy-5,5'-dimethyl-3,3'-di-tert-burtyl-1,1'-diphenylmethane (119-47-1) → 2,2'-methylenebis(4-methylphenol) (3236-63-3)

Guidance literature:

With aluminium trichloride; In toluene; at 25 ℃; for 2h;

DOI:10.1016/0040-4039(94)88229-0

Reference yield: 80.3%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + p-cresol (106-44-5) → 2,2'-methylenebis(4-methylphenol) (3236-63-3)

Guidance literature:

With toluene-4-sulfonic acid; at 60 ℃; for 0.5h;

Reference yield: 73.8%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + p-cresol (106-44-5) → 2,2'-methylenebis(4-methylphenol) (3236-63-3) + 2-hydroxy-5-methylbenzaldehyde (613-84-3) + 2-hydroxy-5-methylbenzaldehyde oxime (1726-86-9)

Guidance literature:

With hydroxylamine sulfate; magnesium methanolate; Product distribution; multistep reaction: 1.) MeOH, toluene, reflux, 1 h, 2.) 95 deg C, 1.25 h, 3.) H₂O, 55 deg C, 1 h; magnesium-mediated ortho-specific formylation and formaldoximation of substituted phenols, effect of the substituent;

upstream raw materials:

formaldehyd

p-cresol

phenylthiomethyl chloride

2,2'-dihydroxy-5,5'-dimethyl-3,3'-di-tert-burtyl-1,1'-diphenylmethane

Downstream raw materials:

bis-(2-hydroxy-5-methyl-3-pyrrolidinomethyl-phenyl)-methane

bis-(2-hydroxy-5-methyl-3-piperidinomethyl-phenyl)-methane

4,4'-dimethyl-6,6'-bis-morpholinomethyl-2,2'-methanediyl-di-phenol

2-(3-hydroxymethyl-2-hydroxy-5-methylbenzyl)-6-hydroxymethyl-4-methylphenol