Product Name

  • Name

    Dimethyl 5-hydroxyisophthalate

  • EINECS 235-899-0
  • CAS No. 13036-02-7
  • Article Data66
  • CAS DataBase
  • Density 1.284 g/cm3
  • Solubility Soluble in water.
  • Melting Point 162-164 °C(lit.)
  • Formula C10H10O5
  • Boiling Point 360.6 °C at 760 mmHg
  • Molecular Weight 210.186
  • Flash Point 143.3 °C
  • Transport Information
  • Appearance white crystalline powder
  • Safety 26-36-37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 13036-02-7 (Dimethyl 5-hydroxyisophthalate)
  • Hazard Symbols IrritantXi
  • Synonyms 1,3-Benzenedicarboxylicacid, 5-hydroxy-, dimethyl ester (9CI);Isophthalic acid, 5-hydroxy-, dimethylester (7CI,8CI);1-Hydroxy-3,5-bis(methoxycarbonyl)benzene;3,5-Bis(methoxycarbonyl)phenol;5-Hydroxyisophthalic acid dimethyl ester;Dimethyl 5-hydroxy-1,3-benzenedicarboxylate;
  • PSA 72.83000
  • LogP 0.96540

Synthetic route

methanol
67-56-1

methanol

5-Hydroxyisophthalic acid
618-83-7

5-Hydroxyisophthalic acid

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Conditions
ConditionsYield
With thionyl chloride Heating;100%
With thionyl chloride for 1.5h; Heating;100%
With sulfuric acid100%
5-Hydroxyisophthalic acid
618-83-7

5-Hydroxyisophthalic acid

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Conditions
ConditionsYield
100%
With boron trifluoride diethyl etherate In methanol Reflux;78%
With sulfuric acid In methanol
With sulfuric acid In methanol
With hydrogenchloride In methanol
5-Hydroxyisophthalic acid
618-83-7

5-Hydroxyisophthalic acid

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Conditions
ConditionsYield
With toluene-4-sulfonic acid In methanol at 60℃; for 12h; Inert atmosphere;96%
With toluene-4-sulfonic acid In methanol at 60℃;79%
3,5-bis(methoxycarbonyl)phenyl trifluoromethanesulfonate
168619-21-4

3,5-bis(methoxycarbonyl)phenyl trifluoromethanesulfonate

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Conditions
ConditionsYield
With tetraethylammonium hydroxide In 1,4-dioxane at 20℃; for 1h;95%
5-Hydroxyisophthalic acid
618-83-7

5-Hydroxyisophthalic acid

methyl iodide
74-88-4

methyl iodide

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Conditions
ConditionsYield
With potassium hydrogencarbonate In N,N-dimethyl-formamide at 40℃;95%
5-Hydroxyisophthalic acid
618-83-7

5-Hydroxyisophthalic acid

diazomethyl-trimethyl-silane
18107-18-1

diazomethyl-trimethyl-silane

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Conditions
ConditionsYield
In methanol; hexane; ethyl acetate; toluene59%
(trimethylsilyl)diazomethane(50 ml, 2.0 M solution in hexane, 100 mmol)

(trimethylsilyl)diazomethane(50 ml, 2.0 M solution in hexane, 100 mmol)

5-Hydroxyisophthalic acid
618-83-7

5-Hydroxyisophthalic acid

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Conditions
ConditionsYield
In methanol; ethyl acetate; toluene59%
methanol
67-56-1

methanol

Chelidamic acid
499-51-4

Chelidamic acid

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Conditions
ConditionsYield
Stage #1: Chelidamic acid With thionyl chloride Reflux;
Stage #2: methanol at 0 - 20℃; for 2h;		29%
methanol
67-56-1

methanol

5-hydroxy-isophthaloyl chloride

5-hydroxy-isophthaloyl chloride

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Wang resin, ether with dimethyl 5-hydroxyisophthalate

Wang resin, ether with dimethyl 5-hydroxyisophthalate

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Conditions
ConditionsYield
With trifluoroacetic acid In chloroform-d1 for 1h;
methanol
67-56-1

methanol

5-Hydroxybenzene-1,3-dicarbonyl dichloride
61842-44-2

5-Hydroxybenzene-1,3-dicarbonyl dichloride

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

5-Hydroxyisophthalic acid
618-83-7

5-Hydroxyisophthalic acid

A

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

B

(poly(ethylene glycol) Mw ca. 6 kDa) α,ω-bis-mesylate

(poly(ethylene glycol) Mw ca. 6 kDa) α,ω-bis-mesylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: SOCl2 / dimethylformamide; tetrahydrofuran / 3 h / Heating
View Scheme
3-hydroxybenzene-1,3-dicarboxylic acid

3-hydroxybenzene-1,3-dicarboxylic acid

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Conditions
ConditionsYield
With sulfuric acid In methanol; water
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

2-(N-tert-butoxycarbonylamino)ethanol
26690-80-2

2-(N-tert-butoxycarbonylamino)ethanol

diethylazodicarboxylate
1972-28-7

diethylazodicarboxylate

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Conditions
ConditionsYield
With hydrogenchloride; sodium hydrogencarbonate; triphenylphosphine; trifluoroacetic acid In tetrahydrofuran; dichloromethane; ethyl acetate
...Expand
methanol
67-56-1

methanol

5-hydroxy-isopththalic acid monomethyl ester
167630-15-1

5-hydroxy-isopththalic acid monomethyl ester

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

Conditions
ConditionsYield
With thionyl chloride at 20℃; Schlenk technique;
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

5-hydroxy-2,4,6-trideuterio-isophthalic acid

5-hydroxy-2,4,6-trideuterio-isophthalic acid

Conditions
ConditionsYield
With water-d2; sodium; platinum on activated charcoal at 140℃; under 7500.6 Torr; for 144h;100%
With water-d2; sodium; platinum on activated charcoal at 140℃; under 7500.6 Torr; for 144h; Yield given;
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

allyl bromide
106-95-6

allyl bromide

dimethyl 5-(prop-2-en-1-yloxy)benzene-1,3-dicarboxylate
21368-39-8

dimethyl 5-(prop-2-en-1-yloxy)benzene-1,3-dicarboxylate

Conditions
ConditionsYield
With potassium carbonate In acetone Heating / reflux;100%
Stage #1: Dimethyl 5-hydroxyisophthalate With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 2h; Inert atmosphere;
Stage #2: allyl bromide In N,N-dimethyl-formamide at 90℃; for 9h; Inert atmosphere;		100%
With caesium carbonate In N,N-dimethyl-formamide for 1h;99%
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

methyl iodide
74-88-4

methyl iodide

dimethyl 5-methoxyisophthalate
20319-44-2

dimethyl 5-methoxyisophthalate

Conditions
ConditionsYield
With potassium carbonate In acetone at 20℃;100%
With potassium carbonate In acetone Heating;95%
With potassium carbonate In acetonitrile Reflux;94%
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

3,5-bis(hydroxymethyl)phenol
153707-56-3

3,5-bis(hydroxymethyl)phenol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran for 3h; Heating;100%
Stage #1: Dimethyl 5-hydroxyisophthalate With lithium aluminium tetrahydride In tetrahydrofuran at -30 - 20℃;
Stage #2: With hydrogenchloride In tetrahydrofuran; water; acetonitrile at 0 - 10℃; Product distribution / selectivity;		99%
With lithium aluminium tetrahydride In tetrahydrofuran Inert atmosphere;99%
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

benzyl bromide
100-39-0

benzyl bromide

dimethyl 5-(benzyloxy)isophthalate
53478-04-9

dimethyl 5-(benzyloxy)isophthalate

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide; acetone for 22h; Reflux;100%
With potassium carbonate In acetone at 20℃; for 18h; Heating / reflux;100%
potassium carbonate In water; N,N-dimethyl-formamide96%
Isobutyl bromide
78-77-3

Isobutyl bromide

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

dimethyl 5-(isobutyloxy)isophthalate
1185753-91-6

dimethyl 5-(isobutyloxy)isophthalate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 40℃; for 20h;99.5%
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 60℃; for 72h; Inert atmosphere;94%
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

tert-butyldimethylsilyl chloride
18162-48-6

tert-butyldimethylsilyl chloride

dimethyl 5-{[(1,1-dimethylethyl)dimethylsilyl]oxy}benzene-1,3-dicarboxylate
182629-24-9

dimethyl 5-{[(1,1-dimethylethyl)dimethylsilyl]oxy}benzene-1,3-dicarboxylate

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 25℃; for 16h;99%
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 18h; Inert atmosphere;97%
With 1H-imidazole In dichloromethane at 0 - 20℃;95%
trifluoromethylsulfonic anhydride
358-23-6

trifluoromethylsulfonic anhydride

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

3,5-bis(methoxycarbonyl)phenyl trifluoromethanesulfonate
168619-21-4

3,5-bis(methoxycarbonyl)phenyl trifluoromethanesulfonate

Conditions
ConditionsYield
With pyridine In dichloromethane at 0℃; for 0.333333h; Substitution;99%
With pyridine In dichloromethane at 0℃; for 24h; Inert atmosphere;83%
With pyridine In dichloromethane at 0℃; for 24h; Inert atmosphere;83%
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

propargyl bromide
106-96-7

propargyl bromide

5-(prop-2-ynyloxy)isophthalic acid dimethyl ester
859857-53-7

5-(prop-2-ynyloxy)isophthalic acid dimethyl ester

Conditions
ConditionsYield
Stage #1: Dimethyl 5-hydroxyisophthalate With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 1h;
Stage #2: propargyl bromide In N,N-dimethyl-formamide at 20 - 25℃;		99%
With potassium carbonate In N,N-dimethyl-formamide at 20℃;98%
Stage #1: Dimethyl 5-hydroxyisophthalate In N,N-dimethyl-formamide for 0.166667h; Cooling with ice;
Stage #2: propargyl bromide In N,N-dimethyl-formamide; toluene at 20℃; for 4h;		96%
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl alcohol
137472-16-3

[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl alcohol

C115H100O19

C115H100O19

Conditions
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; Mitsunobu coupling;99%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 12.1667h; Mitsunobu Displacement; Inert atmosphere;99%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 50℃; for 12.1667h; Mitsunobu Displacement; Inert atmosphere; Schlenk technique;99%
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

chloromethyl methyl ether
107-30-2

chloromethyl methyl ether

dimethyl 5-(methoxymethoxy)isophthalate
848498-23-7

dimethyl 5-(methoxymethoxy)isophthalate

Conditions
ConditionsYield
Stage #1: Dimethyl 5-hydroxyisophthalate With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Cooling with ice; Inert atmosphere;
Stage #2: chloromethyl methyl ether In tetrahydrofuran; mineral oil at 20℃; Cooling with ice; Inert atmosphere;		99%
Stage #1: Dimethyl 5-hydroxyisophthalate With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere; Schlenk technique;
Stage #2: chloromethyl methyl ether In tetrahydrofuran; mineral oil at 20℃; for 3h; Inert atmosphere; Schlenk technique;		99%
Stage #1: Dimethyl 5-hydroxyisophthalate With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Cooling with ice; Inert atmosphere; Schlenk technique;
Stage #2: chloromethyl methyl ether In tetrahydrofuran; mineral oil at 20℃; for 3h; Cooling with ice; Inert atmosphere; Schlenk technique;		99%
C9H9Cl2OPol

C9H9Cl2OPol

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

C29H27O11Pol

C29H27O11Pol

Conditions
ConditionsYield
Stage #1: Dimethyl 5-hydroxyisophthalate With lithium hydride In N,N-dimethyl-formamide at 20℃; for 0.0833333h; solid phase reaction;
Stage #2: C9H9Cl2OPol With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 60℃; solid phase reaction;		99%
C25H23Cl4O3Pol

C25H23Cl4O3Pol

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

C63H55O23Pol

C63H55O23Pol

Conditions
ConditionsYield
Stage #1: Dimethyl 5-hydroxyisophthalate With lithium hydride In N,N-dimethyl-formamide at 20℃; for 0.0833333h; solid phase reaction;
Stage #2: C25H23Cl4O3Pol With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 60℃; solid phase reaction;		99%
bromomethyl resin

bromomethyl resin

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

C11H11O5Pol

C11H11O5Pol

Conditions
ConditionsYield
Stage #1: Dimethyl 5-hydroxyisophthalate With lithium hydride In N,N-dimethyl-formamide at 20℃; for 0.0833333h; solid phase reaction;
Stage #2: bromomethyl resin With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 60℃; solid phase reaction;		99%
C19H28Br2Si
1370710-08-9

C19H28Br2Si

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

C39H46O10Si
1370710-10-3

C39H46O10Si

Conditions
ConditionsYield
With 18-crown-6 ether; potassium carbonate In tetrahydrofuran99%
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

[3,5-Bis-(3,5-bis-benzyloxy-benzyloxy)-phenyl]-methanol
129536-40-9

[3,5-Bis-(3,5-bis-benzyloxy-benzyloxy)-phenyl]-methanol

C59H52O11
1160525-56-3

C59H52O11

Conditions
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 50℃; for 12.1667h; Mitsunobu Displacement; Inert atmosphere; Schlenk technique;99%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; Mitsunobu Displacement;
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

1-dodecylbromide
143-15-7

1-dodecylbromide

methyl 5-dodecyloxy-1,3-benzenedicarboxylate

methyl 5-dodecyloxy-1,3-benzenedicarboxylate

Conditions
ConditionsYield
With potassium carbonate In acetone for 48h; Reflux;99%
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 24h;68%
With potassium carbonate In N,N-dimethyl-formamide at 85℃; for 24h;
1-bromo-octane
111-83-1

1-bromo-octane

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

dimethyl 5-octyloxyl-1,3-benzenedicarboxylyate
443686-43-9

dimethyl 5-octyloxyl-1,3-benzenedicarboxylyate

Conditions
ConditionsYield
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 120℃; for 4h;98.6%
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 80℃; for 48h; Inert atmosphere;93%
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 1h; Inert atmosphere;90%
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

1,3-bis{[3,5-bis(tert-butyl)benzyl]oxy}-5-(bromomethyl)benzene
213680-85-4

1,3-bis{[3,5-bis(tert-butyl)benzyl]oxy}-5-(bromomethyl)benzene

dimethyl 5-(3,5-bis(3,5-di(tert-butyl)phenylmethoxy)phenylmethoxy)isophthalate
429696-83-3

dimethyl 5-(3,5-bis(3,5-di(tert-butyl)phenylmethoxy)phenylmethoxy)isophthalate

Conditions
ConditionsYield
With 18-crown-6 ether; tetra-(n-butyl)ammonium iodide; potassium carbonate In acetone Heating;98%
1,4-dibromo-butane
110-52-1

1,4-dibromo-butane

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

1,4-bis(3,5-bis(methoxycarbonyl)phenoxy)butane
503153-25-1

1,4-bis(3,5-bis(methoxycarbonyl)phenoxy)butane

Conditions
ConditionsYield
With 18-crown-6 ether; potassium carbonate In acetonitrile at 60℃; for 48h;98%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 48h;75%
With tetra-(n-butyl)ammonium iodide; sodium hydride In tetrahydrofuran for 3h; Heating;64%
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

2,5,8,11-tetraoxatridecan-13-ol tosylate
62921-76-0

2,5,8,11-tetraoxatridecan-13-ol tosylate

dimethyl 5-(2,5,8,11-tetraoxatridecan-13-yloxy)isophthalate
935279-99-5

dimethyl 5-(2,5,8,11-tetraoxatridecan-13-yloxy)isophthalate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 16h; Heating;98%
C113H100O17

C113H100O17

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

C133H116O25

C133H116O25

Conditions
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; Mitsunobu coupling;98%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 12.1667h; Mitsunobu Displacement; Inert atmosphere;98%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 50℃; for 12.1667h; Mitsunobu Displacement; Inert atmosphere; Schlenk technique;98%
Glauber's salt

Glauber's salt

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

benzyl bromide
100-39-0

benzyl bromide

[5-(benzyloxy)-1,3-phenylene]dimethanol
251912-48-8

[5-(benzyloxy)-1,3-phenylene]dimethanol

Conditions
ConditionsYield
With potassium carbonate In tetrahydrofuran; water; N,N-dimethyl-formamide98%
...Expand
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

benzyl chloride
100-44-7

benzyl chloride

dimethyl 5-(benzyloxy)isophthalate
53478-04-9

dimethyl 5-(benzyloxy)isophthalate

Conditions
ConditionsYield
Stage #1: Dimethyl 5-hydroxyisophthalate With potassium carbonate In acetone; acetonitrile for 0.5h; Reflux;
Stage #2: benzyl chloride In acetone; acetonitrile Reflux;		98%
C57H52O9

C57H52O9

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

C77H68O17

C77H68O17

Conditions
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 50℃; for 12.1667h; Mitsunobu Displacement; Inert atmosphere; Schlenk technique;98%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; Mitsunobu Displacement;
1,4-bis(bromomethyl)benzene
623-24-5

1,4-bis(bromomethyl)benzene

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

5,5′-(1,4-phenylenebis(methylene))bis(oxy)diisophthalate
22937-66-2

5,5′-(1,4-phenylenebis(methylene))bis(oxy)diisophthalate

Conditions
ConditionsYield
With dibenzo-18-crown-6; potassium carbonate In tetrahydrofuran at 70℃; for 24h;97%
With dibenzo-18-crown-6; potassium carbonate In tetrahydrofuran at 70℃; for 24h;97%
With 18-crown-6 ether; potassium carbonate In tetrahydrofuran at 65℃; for 24h; Etherification;90%
With potassium carbonate
C129H116O21

C129H116O21

Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

C169H148O37

C169H148O37

Conditions
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; Mitsunobu coupling;97%
Dimethyl 5-hydroxyisophthalate
13036-02-7

Dimethyl 5-hydroxyisophthalate

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

dimethyl 5-(methylsulfonyloxy)isophthalate
887969-80-4

dimethyl 5-(methylsulfonyloxy)isophthalate

Conditions
ConditionsYield
With triethylamine In ethyl acetate at 0 - 20℃; for 0.166667h; Green chemistry;97%
With pyridine In dichloromethane at 20℃;93%

Dimethyl 5-hydroxyisophthalate Specification

The IUPAC name of 5-Hydroxyisophthalic acid, dimethyl ester is dimethyl 5-hydroxybenzene-1,3-dicarboxylate. With the CAS registry number 13036-02-7, it is also named as Dimethyl 5-hydroxyisophthalate. The product's categories are Aromatic Esters; Acids & Esters; Phenols. It is white crystalline powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 53.07; (6)ACD/BCF (pH 7.4): 47.61; (7)ACD/KOC (pH 5.5): 597.17; (8)ACD/KOC (pH 7.4): 535.67; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 51.68 cm3; (14)Molar Volume: 163.6 cm3; (15)Polarizability: 20.48×10-24 cm3; (16)Surface Tension: 48.5 dyne/cm; (17)Enthalpy of Vaporization: 63.02 kJ/mol; (18)Vapour Pressure: 1.06E-05 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Tautomer Count: 2; (21)Exact Mass: 210.052823; (22)MonoIsotopic Mass: 210.052823; (23)Topological Polar Surface Area: 72.8; (24)Heavy Atom Count: 15; (25)Complexity: 226.

Preparation of 5-Hydroxyisophthalic acid, dimethyl ester: It can be obtained by methanol and 5-hydroxy-isophthalic acid. This reaction needs reagent hydrogen chloride.

  

Uses of 5-Hydroxyisophthalic acid, dimethyl ester: It can react with 1-iodo-heptane to get 5-heptyloxy-isophthalic acid dimethyl ester. This reaction needs reagent K2CO3 and solvent acetonitrile by heating. The yield is 94%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)c1cc(cc(O)c1)C(=O)OC
2. InChI:InChI=1/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3

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