Product Name

  • Name

    4,4'-(1,3-PHENYLENEDIISOPROPYLIDENE)BISPHENOL

  • EINECS 428-970-4
  • CAS No. 13595-25-0
  • Article Data9
  • CAS DataBase
  • Density 1.107 g/cm3
  • Solubility
  • Melting Point 135-139 °C (lit.)
  • Formula C24H26O2
  • Boiling Point 495.9 °C at 760 mmHg
  • Molecular Weight 346.469
  • Flash Point 220.1 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 13595-25-0 (4,4'-(1,3-PHENYLENEDIISOPROPYLIDENE)BISPHENOL)
  • Hazard Symbols IrritantXi
  • Synonyms Bisphenol M;
  • PSA 40.46000
  • LogP 5.74960

Synthetic route

1,3-bis(1',1'-dimethylhydroxymethyl)benzene
1999-85-5

1,3-bis(1',1'-dimethylhydroxymethyl)benzene

phenol
108-95-2

phenol

bisphenol M
13595-25-0

bisphenol M

bisphenol M
13595-25-0

bisphenol M

4-picolylchloride hydrochloride
1822-51-1

4-picolylchloride hydrochloride

C36H36N2O2
1020725-78-3

C36H36N2O2

Conditions
ConditionsYield
With sodium hydroxide; tetra(n-butyl)ammonium hydroxide In benzene at 80℃; for 48h;98%
2-chloropyrazin
14508-49-7

2-chloropyrazin

bisphenol M
13595-25-0

bisphenol M

1,3-di(2-(4-(2-pyrazinyloxy)phenyl)prop-2-yl)benzene
1020725-53-4

1,3-di(2-(4-(2-pyrazinyloxy)phenyl)prop-2-yl)benzene

Conditions
ConditionsYield
Stage #1: bisphenol M With potassium carbonate In sulfolane; toluene at 20℃; for 0.75h;
Stage #2: 2-chloropyrazin at 80℃; for 48h; Further stages.;		94%
bromocyane
506-68-3

bromocyane

bisphenol M
13595-25-0

bisphenol M

bisphenol M cyanate

bisphenol M cyanate

Conditions
ConditionsYield
With triethylamine; isopropyl alcohol In acetone at -15 - -10℃; for 2.5h;93%
4-Nitrophthalonitrile
31643-49-9

4-Nitrophthalonitrile

bisphenol M
13595-25-0

bisphenol M

C40H30N4O2

C40H30N4O2

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide at 20℃; for 48h; Inert atmosphere;91.3%
bisphenol M
13595-25-0

bisphenol M

3-chloromethylpyridinium chloride
6959-48-4

3-chloromethylpyridinium chloride

1,3-di(2-(4-(3-pyridylmethoxy)phenyl)prop-2-yl)benzene
1020725-73-8

1,3-di(2-(4-(3-pyridylmethoxy)phenyl)prop-2-yl)benzene

Conditions
ConditionsYield
With sodium hydroxide; tetra(n-butyl)ammonium hydroxide In benzene at 80℃; for 48h;90.4%
bisphenol M
13595-25-0

bisphenol M

2-chloromethylpyridine hydrochloride
6959-47-3

2-chloromethylpyridine hydrochloride

C36H36N2O2
1020725-68-1

C36H36N2O2

Conditions
ConditionsYield
With sodium hydroxide; tetra(n-butyl)ammonium hydroxide In benzene at 80℃; for 48h;84%
bisphenol M
13595-25-0

bisphenol M

A

C72H72O6P2

C72H72O6P2

B

C72H72O6P2

C72H72O6P2

Conditions
ConditionsYield
With TEA; phosphorus trichloride In toluene at 25℃; for 24h;A n/a
B 18%
bisphenol M
13595-25-0

bisphenol M

A

C72H72O6P2

C72H72O6P2

B

C72H72O6P2

C72H72O6P2

Conditions
ConditionsYield
With TEA; phosphorus trichloride In toluene at 25℃; for 24h;A n/a
B 18%
bisphenol M
13595-25-0

bisphenol M

A

C72H72O8P2

C72H72O8P2

B

C72H72O8P2

C72H72O8P2

Conditions
ConditionsYield
Stage #1: bisphenol M With TEA; phosphorus trichloride In toluene at 25℃; for 24h;
Stage #2: With Cumene hydroperoxide In toluene at 20℃; for 1h;		A n/a
B 1.37 g
bisphenol M
13595-25-0

bisphenol M

4-chlorobenzonitrile
100-00-5

4-chlorobenzonitrile

1,3-bis[4-(4-nitrophenoxy)-α,α-dimethylbenzyl]benzene
135672-39-8

1,3-bis[4-(4-nitrophenoxy)-α,α-dimethylbenzyl]benzene

Conditions
ConditionsYield
With potassium carbonate In water; N,N-dimethyl-formamide; toluene
meta-dinitrobenzene
99-65-0

meta-dinitrobenzene

bisphenol M
13595-25-0

bisphenol M

1,3-bis[4-(3-nitrophenoxy)-α,α-dimethylbenzyl]benzene
135654-83-0

1,3-bis[4-(3-nitrophenoxy)-α,α-dimethylbenzyl]benzene

Conditions
ConditionsYield
With potassium carbonate In water; N,N-dimethyl-formamide; toluene
formaldehyd
50-00-0

formaldehyd

bisphenol M
13595-25-0

bisphenol M

4,4'-[1,3-phenylenebis(1-methylethylidene)]bis(3,5-dihydroxymethylphenol)

4,4'-[1,3-phenylenebis(1-methylethylidene)]bis(3,5-dihydroxymethylphenol)

Conditions
ConditionsYield
Stage #1: bisphenol M With sodium hydroxide In methanol; water at 20℃; for 0.166667h;
Stage #2: formaldehyd In water at 30℃; for 9h;
bisphenol M
13595-25-0

bisphenol M

3-(4-(2-(3-(2-(4-(3-chloro-2-hydroxypropoxy)phenyl)propan-2-yl)phenyl)propan-2-yl)phenoxy)propane-1,2-diol
1403962-95-7

3-(4-(2-(3-(2-(4-(3-chloro-2-hydroxypropoxy)phenyl)propan-2-yl)phenyl)propan-2-yl)phenoxy)propane-1,2-diol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.33 h / 20 °C / Inert atmosphere
1.2: 40 h / 70 - 80 °C / Inert atmosphere
2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.33 h / 20 °C / Inert atmosphere
2.2: 22 h / 20 °C / Inert atmosphere
3.1: cerium(III) chloride heptahydrate / acetonitrile / 22 h / Reflux
View Scheme
5-chloromethyl-2,2-dimethyl-1,3-dioxolane
4362-40-7

5-chloromethyl-2,2-dimethyl-1,3-dioxolane

bisphenol M
13595-25-0

bisphenol M

2,2-dimethyl-4-((4-(2-(3-(2-(4-(oxiran-2-ylmethoxy)phenyl)propan-2-yl)phenyl)propan-2-yl)phenoxy)methyl)-1,3-dioxolane
1403962-94-6

2,2-dimethyl-4-((4-(2-(3-(2-(4-(oxiran-2-ylmethoxy)phenyl)propan-2-yl)phenyl)propan-2-yl)phenoxy)methyl)-1,3-dioxolane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.33 h / 20 °C / Inert atmosphere
1.2: 40 h / 70 - 80 °C / Inert atmosphere
2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.33 h / 20 °C / Inert atmosphere
2.2: 22 h / 20 °C / Inert atmosphere
View Scheme
bisphenol M
13595-25-0

bisphenol M

p-acetylaminobenzenesulfonyl chloride
121-60-8

p-acetylaminobenzenesulfonyl chloride

C40H40N2O8S2

C40H40N2O8S2

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 30 - 40℃; for 3h; Inert atmosphere;
bisphenol M
13595-25-0

bisphenol M

3-fluoro-6-nitrotoluene
446-33-3

3-fluoro-6-nitrotoluene

1,3-bis{2-[4-(3-methyl-4-nitrophenoxy)phenyl]-2-propyl}benzene

1,3-bis{2-[4-(3-methyl-4-nitrophenoxy)phenyl]-2-propyl}benzene

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 9h;6.0 g
bisphenol M
13595-25-0

bisphenol M

3-fluoro-6-nitrotoluene
446-33-3

3-fluoro-6-nitrotoluene

1,3-bis{2-[4-(4-amino-3-methylphenoxy)phenyl]-2-propyl}benzene

1,3-bis{2-[4-(4-amino-3-methylphenoxy)phenyl]-2-propyl}benzene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium carbonate / N,N-dimethyl-formamide / 9 h / 120 °C
2: 5%-palladium/activated carbon; 2-methoxy-ethanol; hydrogen / 90 °C / 6000.6 Torr / Autoclave
View Scheme

Phenol, 4, 4'-[1, 3-phenylenebis(1-methylethylidene)]bis- Specification

The Phenol, 4, 4'-[1, 3-phenylenebis(1-methylethylidene)]bis-, with the CAS registry number 13595-25-0, is also known as Bisphenol M. It belongs to the product categories of Color Former & Related Compounds; Developer; Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research. This chemical's molecular formula is C24H26O2 and molecular weight is 346.46. What's more, its IUPAC name is 4-[2-[3-[2-(4-Hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about Phenol, 4, 4'-[1, 3-phenylenebis(1-methylethylidene)]bis- are: (1)ACD/LogP: 6.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.12; (4)ACD/LogD (pH 7.4): 6.11; (5)ACD/BCF (pH 5.5): 26232.26; (6)ACD/BCF (pH 7.4): 26092.19; (7)ACD/KOC (pH 5.5): 50649.99; (8)ACD/KOC (pH 7.4): 50379.55; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 106.32 cm3; (15)Molar Volume: 312.8 cm3; (16)Polarizability: 42.14×10-24 cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.107 g/cm3; (19)Flash Point: 220.1 °C; (20)Enthalpy of Vaporization: 79.25 kJ/mol; (21)Boiling Point: 495.9 °C at 760 mmHg; (22)Vapour Pressure: 1.86E-10 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1)C(c2cccc(c2)C(c3ccc(O)cc3)(C)C)(C)C
(2) InChI: InChI=1/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3
(3) InChIKey: PVFQHGDIOXNKIC-UHFFFAOYAG

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