1,3-Benzenedimethanol, 5,5'-(1-methylethylidene)bis[2-hydroxy-

Base Information

• Chemical Name: 1,3-Benzenedimethanol, 5,5'-(1-methylethylidene)bis[2-hydroxy-
• CAS No.: 3957-22-0
• Molecular Formula: C19H24O6
• Molecular Weight: 348.396
• Hs Code.: 2907299090
• European Community (EC) Number: 223-553-1
• DSSTox Substance ID: DTXSID9063245
• Nikkaji Number: J217.788I
• Wikidata: Q81990599
• Mol file: 3957-22-0.mol

Synonyms:3957-22-0;(Propane-2,2-diylbis(2-hydroxybenzene-5,3,1-triyl))tetramethanol;1,3-Benzenedimethanol, 5,5'-(1-methylethylidene)bis[2-hydroxy-;4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol;2,2-Bis[4-hydroxy-3,5-di(hydroxymethyl)phenyl]propane;EINECS 223-553-1;5,5'-Isopropylidenebis(m-xylene-2,alpha,alpha'-triol);5,5'-(1-Methylethylidene)bis(2-hydroxy-1,3-benzenedimethanol);C19H24O6;1,3-Benzenedimethanol, 5,5'-(1-methylethylidene)bis(2-hydroxy-;SCHEMBL224429;DTXSID9063245;MFCD00071732;DS-12396;CS-0158114;F12571;4,4'-Isopropylidenebis[2,6-bis(hydroxymethyl)phenol];4-[2-[4-hydroxy-3,5-bis-(hydroxymethyl)phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol

Chemical Property of 1,3-Benzenedimethanol, 5,5'-(1-methylethylidene)bis[2-hydroxy-

Chemical Property:

• Boiling Point: 564.8±45.0 °C(Predicted)
• PKA: 10.27±0.10(Predicted)
• Flash Point: 261.4oC
• PSA: 121.38000
• Density: 1.367±0.06 g/cm3(Predicted)
• LogP: 1.39290
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 348.15728848
• Heavy Atom Count: 25
• Complexity: 351

Purity/Quality:

97%min ^*data from raw suppliers

948/2,2-bis[4-Hydroxy-3,5-di(hydroxymethyl)phenyl]propane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC(=C(C(=C1)CO)O)CO)C2=CC(=C(C(=C2)CO)O)CO
• Uses: 5,5'-isopropylidenebis(m-xylene-2,alpha,alpha'-triol) can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.

Technology Process of 1,3-Benzenedimethanol, 5,5'-(1-methylethylidene)bis[2-hydroxy-

There total 2 articles about 1,3-Benzenedimethanol, 5,5'-(1-methylethylidene)bis[2-hydroxy- 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: 93.0%

BPA (80-05-7) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 5,5'-isopropylidenebis(metaxylene-2,α,α'-triol) (3957-22-0)

Guidance literature:

With MCM-41 mesoporous sulfonic acid catalyst; In water; at 90 ℃; for 5h; Time; Large scale;

Reference yield:

9,9-bis(4-hydroxyphenyl)fluorene (3236-71-3) → 5,5'-isopropylidenebis(metaxylene-2,α,α'-triol) (3957-22-0)

Guidance literature:

Reference yield: 63.0%

5,5'-isopropylidenebis(metaxylene-2,α,α'-triol) (3957-22-0) + ethyl iodide (75-03-6) → 2,2-bis(3,5-bis(hydroxymethyl)-4-ethoxyphenyl)propane (1636900-02-1)

Guidance literature:

With potassium carbonate; In acetone; Inert atmosphere; Reflux;

DOI:10.3762/bjoc.10.180

upstream raw materials:

BPA

formaldehyd

9,9-bis(4-hydroxyphenyl)fluorene

Downstream raw materials:

2,2-Propandiyl-4,4'-bis<2,6-(2-methyl-2-nitropropyl)phenol>

C₄₃H₆₄O₁₀S₄

C₄₉H₇₂O₁₂S₆

C₃₅H₅₆O₆S₄