Product Name

  • Name

    ALPHA,ALPHA'-DIHYDROXY-1,3-DIISOPROPYLBENZENE

  • EINECS 217-886-1
  • CAS No. 1999-85-5
  • Density 1.051 g/cm3
  • Solubility 2.66g/L at 20℃
  • Melting Point 137-140 °C(lit.)
  • Formula C12H18O2
  • Boiling Point 295.6 °C at 760 mmHg
  • Molecular Weight 194.274
  • Flash Point 134.6 °C
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 1999-85-5 (ALPHA,ALPHA'-DIHYDROXY-1,3-DIISOPROPYLBENZENE)
  • Hazard Symbols HarmfulXn
  • Synonyms 1,3-Benzenedimethanol,α,α,α',α'-tetramethyl- (9CI);m-Xylene-a,a'-diol, α,α,α',α'-tetramethyl- (6CI,7CI,8CI);1,3-Bis(1-hydroxy-1-methylethyl)benzene;1,3-Bis(2-hydroxy-2-propyl)benzene;1,3-Bis(2-hydroxyisopropyl)benzene;1,3-Bis(2-propanol)benzene;1,3-Di(2-hydroxy-2-propyl)benzene;1,3-Di(2-hydroxyisopropyl)benzene;2,2'-m-Phenylenedi-2-propanol;m-Bis(2-Hydroxyisopropyl)benzene;m-Bisα-hydroxyisopropyl)benzene;α,α,α',α'-Tetramethyl-m-benzenedimethanol;α,α,α',α'-Tetramethyl-m-xylylenediol;α,α,α',α'-Tetramethylisophthalyl alcohol;α,α'-Dihydroxy-1,3-diisopropylbenzene;α,α'-Dihydroxy-m-diisopropylbenzene;
  • PSA 40.46000
  • LogP 2.14140

Synthetic route

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene
13387-60-5

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene

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

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

Conditions
ConditionsYield
With hydrogen; 0.5% Pd/Al2O3 In 4-methyl-2-pentanone at 98℃; under 3750.38 Torr; for 1h; Conversion of starting material;85%
With sodium sulfite In water; 4-methyl-2-pentanone Heating / reflux;
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

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

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

Conditions
ConditionsYield
With sodium hydroxide; oxygen
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

A

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

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

B

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene
13387-60-5

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene

C

3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene
80-24-0

3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene

D

1,3-di(2-hydroperoxy-2-propyl)benzene
721-26-6

1,3-di(2-hydroperoxy-2-propyl)benzene

E

2-(3-isopropyl-phenyl)-propan-2-ol
14860-89-0

2-(3-isopropyl-phenyl)-propan-2-ol

Conditions
ConditionsYield
With oxygen; 1,10-Phenanthroline; magnesium naphthenate at 80 - 120℃; Rate constant; Kinetics; Thermodynamic data; E(act.) for various reaction products formation, other catalyst;
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

oxygen
80937-33-3

oxygen

A

m-(2-hydroperoxy-2-propyl)acetophenone

m-(2-hydroperoxy-2-propyl)acetophenone

B

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

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

C

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene
13387-60-5

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene

D

1,3-di(2-hydroperoxy-2-propyl)benzene
721-26-6

1,3-di(2-hydroperoxy-2-propyl)benzene

E

acetylisopropylbenzene monocarbinol
87771-41-3

acetylisopropylbenzene monocarbinol

F

2-(3-isopropyl-phenyl)-propan-2-ol
14860-89-0

2-(3-isopropyl-phenyl)-propan-2-ol

G

1-[3-(propan-2-yl)phenyl]ethan-1-one
40428-87-3

1-[3-(propan-2-yl)phenyl]ethan-1-one

Conditions
ConditionsYield
With sodium hydroxide; 3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene In water at 90℃;
3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene
13387-60-5

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene

A

m-(2-hydroperoxy-2-propyl)acetophenone

m-(2-hydroperoxy-2-propyl)acetophenone

B

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

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

C

3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene
80-24-0

3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene

D

1,3-di(2-hydroperoxy-2-propyl)benzene
721-26-6

1,3-di(2-hydroperoxy-2-propyl)benzene

E

acetylisopropylbenzene monocarbinol
87771-41-3

acetylisopropylbenzene monocarbinol

F

2-(3-isopropyl-phenyl)-propan-2-ol
14860-89-0

2-(3-isopropyl-phenyl)-propan-2-ol

G

1-[3-(propan-2-yl)phenyl]ethan-1-one
40428-87-3

1-[3-(propan-2-yl)phenyl]ethan-1-one

Conditions
ConditionsYield
With sodium hydroxide In water; 4-methyl-2-pentanone at 90℃; Heating / reflux;
3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene
13387-60-5

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene

A

m-(2-hydroperoxy-2-propyl)acetophenone

m-(2-hydroperoxy-2-propyl)acetophenone

B

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

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

C

3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene
80-24-0

3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene

D

1,3-di(2-hydroperoxy-2-propyl)benzene
721-26-6

1,3-di(2-hydroperoxy-2-propyl)benzene

E

acetylisopropylbenzene monocarbinol
87771-41-3

acetylisopropylbenzene monocarbinol

F

2-(3-isopropyl-phenyl)-propan-2-ol
14860-89-0

2-(3-isopropyl-phenyl)-propan-2-ol

Conditions
ConditionsYield
With sodium sulfite In water; 4-methyl-2-pentanone Heating / reflux;
1,3-bis(1',1'-dimethylhydroxymethyl)benzene
1999-85-5

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

Methyl thioglycolate
2365-48-2

Methyl thioglycolate

dimethyl [1,3-phenylenebis(1-methylethylidenethio)]diacetate
1582789-93-2

dimethyl [1,3-phenylenebis(1-methylethylidenethio)]diacetate

Conditions
ConditionsYield
With zinc(II) iodide In 1,2-dichloro-ethane at 20℃; for 1h; Inert atmosphere; Schlenk technique;96%
methanol
67-56-1

methanol

carbon monoxide
201230-82-2

carbon monoxide

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

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

dimethyl 3,3'-(1,3-phenylene)dibutyrate

dimethyl 3,3'-(1,3-phenylene)dibutyrate

Conditions
ConditionsYield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; α,α′-bis(2-pyridyl(tert-butyl)phosphino)-o-xylene; toluene-4-sulfonic acid at 100℃; under 15001.5 Torr; for 20h; Autoclave; Inert atmosphere;96%
1,3-bis(1',1'-dimethylhydroxymethyl)benzene
1999-85-5

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

1,3-bis(1-chloro-1-methylethyl)benzene

1,3-bis(1-chloro-1-methylethyl)benzene

Conditions
ConditionsYield
With hydrogenchloride; calcium chloride In dichloromethane at 0℃; for 2h;93%
With hydrogenchloride; calcium chloride In dichloromethane at 0℃;
tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

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

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

1-(1-methyl-1-hydroxyethyl)-3-(1-methyl-1-tert-butylperoxyethyl)benzene
57913-37-8

1-(1-methyl-1-hydroxyethyl)-3-(1-methyl-1-tert-butylperoxyethyl)benzene

Conditions
ConditionsYield
With perchloric acid In acetic acid at 20℃; for 5h;76%
Cumene hydroperoxide
80-15-9

Cumene hydroperoxide

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

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

1-(1-methyl-1-hydroxyethyl)-3-<1-methyl-1-(1-methyl-1-phenylethylperoxy)ethyl>benzene
106148-80-5

1-(1-methyl-1-hydroxyethyl)-3-<1-methyl-1-(1-methyl-1-phenylethylperoxy)ethyl>benzene

Conditions
ConditionsYield
With perchloric acid In acetic acid74%
vinyl acetate
108-05-4

vinyl acetate

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

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

A

1-(1-hydroxy-1-methylethyl)-3-(1-methyl-1-vinyloxyethyl)benzene

1-(1-hydroxy-1-methylethyl)-3-(1-methyl-1-vinyloxyethyl)benzene

B

1,3-bis[1-(allyloxy)-1-methylethyl]benzene

1,3-bis[1-(allyloxy)-1-methylethyl]benzene

Conditions
ConditionsYield
With sodium carbonate; chloro(1,5-cyclooctadiene)iridium(I) dimer In toluene at 100℃; for 6h;A 8%
B 70%
pyrrole
109-97-7

pyrrole

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

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

1,3-bis-[1'-(pyrrol-2-yl)-1',1'-(dimethyl)methyl]benzene
443145-94-6

1,3-bis-[1'-(pyrrol-2-yl)-1',1'-(dimethyl)methyl]benzene

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In acetonitrile at 20℃; for 0.333333h;68%
With boron trifluoride diethyl etherate In dichloromethane at 20℃;
1,3-bis(1',1'-dimethylhydroxymethyl)benzene
1999-85-5

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

acryloyl chloride
814-68-6

acryloyl chloride

acrylic acid 1,3-phenylenebis(1-methylethylidene) ester

acrylic acid 1,3-phenylenebis(1-methylethylidene) ester

Conditions
ConditionsYield
50%
1,3-bis(1',1'-dimethylhydroxymethyl)benzene
1999-85-5

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

Methacryloyl chloride
920-46-7

Methacryloyl chloride

methacrylic acid 1,3-phenylenebis(1-methylethylidene) ester

methacrylic acid 1,3-phenylenebis(1-methylethylidene) ester

Conditions
ConditionsYield
32%
pyrrole
109-97-7

pyrrole

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

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

benzaldehyde
100-52-7

benzaldehyde

11,16-bis(phenyl)-6,6,21,21-tetramethyl-m-benzi-6,21-porphodimethene

11,16-bis(phenyl)-6,6,21,21-tetramethyl-m-benzi-6,21-porphodimethene

Conditions
ConditionsYield
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; benzaldehyde With boron trifluoride diethyl etherate In dichloromethane at 27℃; for 2h;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 27℃; for 2h; Further stages.;
27%
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; benzaldehyde With boron trifluoride diethyl etherate In dichloromethane
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane
pyrrole
109-97-7

pyrrole

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

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

benzaldehyde
100-52-7

benzaldehyde

A

11,16-bis(phenyl)-6,6,21,21-tetramethyl-m-benzi-6,21-porphodimethene

11,16-bis(phenyl)-6,6,21,21-tetramethyl-m-benzi-6,21-porphodimethene

B

C38H33N3O

C38H33N3O

C

C38H33N3O

C38H33N3O

Conditions
ConditionsYield
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; benzaldehyde With boron trifluoride diethyl etherate In dichloromethane at 27℃; for 2h;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 27℃; for 2h;
A 27%
B 0.8%
C 4%
pyrrole
109-97-7

pyrrole

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

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

4-nitrobenzaldehdye
555-16-8

4-nitrobenzaldehdye

11,16-bis(4-nitrophenyl)-6,6,21,21-tetramethyl-m-benziporphodimethane

11,16-bis(4-nitrophenyl)-6,6,21,21-tetramethyl-m-benziporphodimethane

Conditions
ConditionsYield
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; 4-nitrobenzaldehdye With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane
27%
pyrrole
109-97-7

pyrrole

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

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

acetone
67-64-1

acetone

calix[1]benzene[3]pyrrole

calix[1]benzene[3]pyrrole

Conditions
ConditionsYield
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene With boron trifluoride diethyl etherate In acetonitrile at 20℃; for 0.0833333h;
Stage #2: acetone In acetonitrile at 20℃; for 0.916667h; Further stages.;
18%
pyrrole
109-97-7

pyrrole

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

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

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

C38H31Cl2N3

C38H31Cl2N3

Conditions
ConditionsYield
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; 4-chlorobenzaldehyde With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 2h;
17%
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; 4-chlorobenzaldehyde With boron trifluoride diethyl etherate In dichloromethane at 20℃;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone at 20℃;
pyrrole
109-97-7

pyrrole

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

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

2,6-dichlorobenzaldehyde
83-38-5

2,6-dichlorobenzaldehyde

C38H29Cl4N3

C38H29Cl4N3

Conditions
ConditionsYield
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; 2,6-dichlorobenzaldehyde With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 2h;
17%
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; 2,6-dichlorobenzaldehyde With boron trifluoride diethyl etherate In dichloromethane at 20℃;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone at 20℃;
pyrrole
109-97-7

pyrrole

2,6-difluorobenzaldehyde
437-81-0

2,6-difluorobenzaldehyde

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

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

C38H29F4N3

C38H29F4N3

Conditions
ConditionsYield
Stage #1: pyrrole; 2,6-difluorobenzaldehyde; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 2h;
17%
Stage #1: pyrrole; 2,6-difluorobenzaldehyde; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene With boron trifluoride diethyl etherate In dichloromethane at 20℃;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone at 20℃;
4-Trifluoromethylbenzaldehyde
455-19-6

4-Trifluoromethylbenzaldehyde

pyrrole
109-97-7

pyrrole

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

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

C40H31F6N3

C40H31F6N3

Conditions
ConditionsYield
Stage #1: 4-Trifluoromethylbenzaldehyde; pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 2h;
17%
Stage #1: 4-Trifluoromethylbenzaldehyde; pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene With boron trifluoride diethyl etherate In dichloromethane at 20℃;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone at 20℃;
pyrrole
109-97-7

pyrrole

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

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

3,4,5-trimethoxy-benzaldehyde
86-81-7

3,4,5-trimethoxy-benzaldehyde

C44H45N3O6

C44H45N3O6

Conditions
ConditionsYield
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; 3,4,5-trimethoxy-benzaldehyde With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 2h;
17%
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; 3,4,5-trimethoxy-benzaldehyde With boron trifluoride diethyl etherate In dichloromethane at 20℃;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone at 20℃;
pyrrole
109-97-7

pyrrole

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

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

trans-calix[2]benzene[2]pyrrole

trans-calix[2]benzene[2]pyrrole

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In acetonitrile at 20℃; for 1h;16%
pyrrole
109-97-7

pyrrole

perfluorobenzaldehyde
653-37-2

perfluorobenzaldehyde

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

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

C38H23F10N3

C38H23F10N3

Conditions
ConditionsYield
Stage #1: pyrrole; perfluorobenzaldehyde; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 2h;
16%
Stage #1: pyrrole; perfluorobenzaldehyde; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene With boron trifluoride diethyl etherate In dichloromethane at 20℃;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone at 20℃;
pyrrole
109-97-7

pyrrole

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

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

4-methoxy-benzaldehyde
123-11-5

4-methoxy-benzaldehyde

C40H37N3O2

C40H37N3O2

Conditions
ConditionsYield
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; 4-methoxy-benzaldehyde With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 2h;
16%
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; 4-methoxy-benzaldehyde With boron trifluoride diethyl etherate In dichloromethane at 20℃;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone at 20℃;
pyrrole
109-97-7

pyrrole

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

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

4-bromo-benzaldehyde
1122-91-4

4-bromo-benzaldehyde

C38H31Br2N3

C38H31Br2N3

Conditions
ConditionsYield
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; 4-bromo-benzaldehyde With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 2h;
14%
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; 4-bromo-benzaldehyde With boron trifluoride diethyl etherate In dichloromethane at 20℃;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone at 20℃;
pyrrole
109-97-7

pyrrole

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

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

methyl 4-formylbenzoate
1571-08-0

methyl 4-formylbenzoate

A

11,16-bis(4-methylbenzoate)-6,6,21,21-tetramethyl-m-benziporphodimethane

11,16-bis(4-methylbenzoate)-6,6,21,21-tetramethyl-m-benziporphodimethane

B

C42H37N3O5

C42H37N3O5

C

C42H37N3O5

C42H37N3O5

Conditions
ConditionsYield
Stage #1: pyrrole; 1,3-bis(1',1'-dimethylhydroxymethyl)benzene; methyl 4-formylbenzoate With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h;
Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 0.5h;
A 11%
B 1.25%
C 2.9%
1,3-bis(1',1'-dimethylhydroxymethyl)benzene
1999-85-5

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

1-(1-methyl-1-tert-butylperoxyethyl)-3-isopropenylbenzene
96319-55-0

1-(1-methyl-1-tert-butylperoxyethyl)-3-isopropenylbenzene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 76 percent / 0.1 N perchloric acid / acetic acid / 5 h / 20 °C
2: 75 percent / iodine / acetic acid / 3 h / 80 °C
View Scheme
1,3-bis(1',1'-dimethylhydroxymethyl)benzene
1999-85-5

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

1-<1-methyl-1-(1-methyl-1-phenylethylperoxy)ethyl>-3-isopropenylbenzene
106148-81-6

1-<1-methyl-1-(1-methyl-1-phenylethylperoxy)ethyl>-3-isopropenylbenzene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 74 percent / 0.1 N perchloric acid / acetic acid
2: 72 percent / iodine / acetic acid
View Scheme

1,3-Benzenedimethanol, α1,α1,α3,α3-tetramethyl- Specification

The 1,3-Benzenedimethanol, α1,α1,α3,α3-tetramethyl-, with the CAS registry number 1999-85-5, is also known as α,α'-Dihydroxy-1,3-diisopropylbenzene. Its EINECS number is 217-886-1. It belongs to the product categories of Organic Building Blocks; Oxygen Compounds; Polyols. This chemical's molecular formula is C12H18O2 and molecular weight is 194.27. What's more, its systematic name is 2,2'-Benzene-1,3-diyldipropan-2-ol. Its classification code is TSCA Flag P. The product should be sealed and stored in containers which are placed in cool, ventilated and dry places and protected from oxidizers. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust device.

Physical properties of 1,3-Benzenedimethanol, α1,α1,α3,α3-tetramethyl- are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.2; (6)ACD/BCF (pH 7.4): 5.2; (7)ACD/KOC (pH 5.5): 113.27; (8)ACD/KOC (pH 7.4): 113.27; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 56.83 cm3; (15)Molar Volume: 184.8 cm3; (16)Polarizability: 22.52×10-24 cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.051 g/cm3; (19)Flash Point: 134.6 °C; (20)Enthalpy of Vaporization: 56.54 kJ/mol; (21)Boiling Point: 295.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000681 mmHg at 25°C.

Uses of 1,3-Benzenedimethanol, α1,α1,α3,α3-tetramethyl-: it can be used to produce 1,3-bis-[1'-(pyrrol-2-yl)-1',1'-(dimethyl)methyl]benzene at the temperature of 20 °C. It will need reagent BF3•Et2O and solvent acetonitrile with the reaction time of 20 min. The yield is about 68%.

1,3-Benzenedimethanol, α1,α1,α3,α3-tetramethyl- can be used to produce 1,3-bis-[1'-(pyrrol-2-yl)-1',1'-(dimethyl)methyl]benzene at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C1=CC(=CC=C1)C(C)(C)O)O
(2)InChI: InChI=1S/C12H18O2/c1-11(2,13)9-6-5-7-10(8-9)12(3,4)14/h5-8,13-14H,1-4H3
(3)InChIKey: UGPWRRVOLLMHSC-UHFFFAOYSA-N

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