Product Name

  • Name

    5-Amino-2,4,6- triiodisophthaloyl acid dichloride

  • EINECS 417-220-1
  • CAS No. 37441-29-5
  • Article Data32
  • CAS DataBase
  • Density 2.827 g/cm3
  • Solubility
  • Melting Point 231°C(lit.)
  • Formula C8H2Cl2I3NO2
  • Boiling Point 566.853 °C at 760 mmHg
  • Molecular Weight 595.729
  • Flash Point 296.622 °C
  • Transport Information
  • Appearance slightly yellow powder
  • Safety 22-36/37-61
  • Risk Codes 43-51/53
  • Molecular Structure Molecular Structure of 37441-29-5 (5-Amino-2,4,6- triiodisophthaloyl acid dichloride)
  • Hazard Symbols IrritantXi, DangerousN
  • Synonyms 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylicacid dichloride;5-Amino-2,4,6-triiodoisophthaloyl chloride;5-Amino-2,4,6-triiodoisophthaloyl dichloride;
  • PSA 60.16000
  • LogP 4.42180

Synthetic route

2,4,6-triiodo-5-aminoisophthalic acid
35453-19-1

2,4,6-triiodo-5-aminoisophthalic acid

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

Conditions
ConditionsYield
With pyridine; thionyl chloride In 1,2-dichloro-ethane at 70 - 85℃; for 8.5h;100%
With pyridine; thionyl chloride In 1,2-dichloro-ethane at 70 - 85℃; for 7.5 - 8h;100%
With pyridine; thionyl chloride In 1,2-dichloro-ethane at 70 - 85℃; for 7.5 - 8h;100%
2,4,6-triiodo-5-aminoisophthalic acid
35453-19-1

2,4,6-triiodo-5-aminoisophthalic acid

2-chloro-1,3-dimethylimidazolinium chloride
37091-73-9

2-chloro-1,3-dimethylimidazolinium chloride

A

5-amino-2,4,6-triodoisophthaloyl dichloride

5-amino-2,4,6-triodoisophthaloyl dichloride

B

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

Conditions
ConditionsYield
In hexane; tolueneA 95%
B n/a
...Expand
2,4,6-triiodo-5-aminoisophthalic acid
35453-19-1

2,4,6-triiodo-5-aminoisophthalic acid

2-chloro-1,3-dimethylimidazolinium chloride
37091-73-9

2-chloro-1,3-dimethylimidazolinium chloride

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

Conditions
ConditionsYield
93%
5-sulfinylamino-2,4,6-triiodoisophthalic acid chloride

5-sulfinylamino-2,4,6-triiodoisophthalic acid chloride

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

Conditions
ConditionsYield
With water In acetone for 26h;85.5%
5-aminoisophthalic acid
99-31-0

5-aminoisophthalic acid

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 73 percent / ICl; KCl / H2O / 24 h / 55 °C
2: 89.3 percent / SOCl2 / 6 h / Heating
View Scheme
Multi-step reaction with 2 steps
1: 74 percent / aq. potassium iododichloride / H2O / 18 h / 55 - 60 °C
2: 92 percent / thionyl chloride
View Scheme
5-nitrobenzene-1,3-dicarboxylic acid
618-88-2

5-nitrobenzene-1,3-dicarboxylic acid

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: Iodine monochloride / 5 h / 70 °C / Inert atmosphere
2.1: phosphorus pentachloride / 0.67 h / 30 °C
2.2: 0.17 h
View Scheme
5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

Acetoxyacetyl chloride
13831-31-7

Acetoxyacetyl chloride

2-((3,5-bis (chlorocarbonyl)-2,4,6-triiodophenyl)amino)-2-oxoethyl acetate
78314-12-2

2-((3,5-bis (chlorocarbonyl)-2,4,6-triiodophenyl)amino)-2-oxoethyl acetate

Conditions
ConditionsYield
In water99%
In N,N-dimethyl acetamide at 20℃; for 15h; Cooling;92%
In tetrahydrofuran; n-heptane at 20℃; Product distribution / selectivity; Heating / reflux;35%
acetyl chloride
75-36-5

acetyl chloride

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

5-acetamido-2,4,6-triiodoisophthaloyl dichloride
31122-75-5

5-acetamido-2,4,6-triiodoisophthaloyl dichloride

Conditions
ConditionsYield
In water99%
In ISOPROPYLAMIDE at 0℃; for 12h;81%
In N,N-dimethyl acetamide at 0 - 20℃; for 4h;50%
In N,N-dimethyl acetamide at 20℃; Inert atmosphere; Cooling with ice;
acetic anhydride
108-24-7

acetic anhydride

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

5-acetamido-2,4,6-triiodoisophthaloyl dichloride
31122-75-5

5-acetamido-2,4,6-triiodoisophthaloyl dichloride

Conditions
ConditionsYield
sulfuric acid In acetonitrile Product distribution / selectivity;97%
sulfuric acid for 1h; Product distribution / selectivity;76%
TFA-Gly
383-70-0

TFA-Gly

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

2,4,6-triiodo-5-[2-(2,2,2-trifluoroacetylamino)-acetylamino]-isophthalic acid dichloride
752253-20-6

2,4,6-triiodo-5-[2-(2,2,2-trifluoroacetylamino)-acetylamino]-isophthalic acid dichloride

Conditions
ConditionsYield
Stage #1: TFA-Gly With thionyl chloride In ISOPROPYLAMIDE at 0℃; for 1h;
Stage #2: 5-amino-2,4,6-triiodoisophthalic acid dichloride In ISOPROPYLAMIDE at 0 - 20℃; for 96h;		97%
glycinium trifluoroacetate
677-30-5

glycinium trifluoroacetate

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

2,4,6-triiodo-5-[2-(2,2,2-trifluoroacetylamino)-acetylamino]-isophthalic acid dichloride
752253-20-6

2,4,6-triiodo-5-[2-(2,2,2-trifluoroacetylamino)-acetylamino]-isophthalic acid dichloride

Conditions
ConditionsYield
Stage #1: glycinium trifluoroacetate With thionyl chloride In ISOPROPYLAMIDE at 0℃; for 1h;
Stage #2: 5-amino-2,4,6-triiodoisophthalic acid dichloride In ISOPROPYLAMIDE at 0 - 20℃; for 96h;		97%
5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

5-acetamido-2,4,6-triiodoisophthaloyl dichloride
31122-75-5

5-acetamido-2,4,6-triiodoisophthaloyl dichloride

Conditions
ConditionsYield
With thionyl chloride In acetic acid93.4%
With sulfuric acid; acetic anhydride
With thionyl chloride In acetic acid
Methoxyacetyl chloride
38870-89-2

Methoxyacetyl chloride

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

5-Methoxyacetamido-2,4,6-triiodoisophthaloyl chloride
76350-03-3

5-Methoxyacetamido-2,4,6-triiodoisophthaloyl chloride

Conditions
ConditionsYield
In 1,4-dioxane at 80 - 90℃;93%
In N,N-dimethyl acetamide at 10 - 20℃; for 24h;90.2%
In N,N-dimethyl acetamide at 20℃; for 20h; Cooling with ice;86%
(S)-2-acetoxypropanoyl chloride
36394-75-9

(S)-2-acetoxypropanoyl chloride

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

S-(-)-5-[[2-(acetyloxy)-1-oxopropyl]amino]-2,4,6-triiodo-1,3-benzenedicarboxylic acid dichloride
60166-91-8

S-(-)-5-[[2-(acetyloxy)-1-oxopropyl]amino]-2,4,6-triiodo-1,3-benzenedicarboxylic acid dichloride

Conditions
ConditionsYield
In N,N-dimethyl acetamide at 0 - 20℃; Inert atmosphere;92.3%
In N,N-dimethyl acetamide at 0 - 20℃; for 38h; Inert atmosphere;91.4%
Stage #1: (S)-2-acetoxypropanoyl chloride In N,N-dimethyl acetamide at -2 - 0℃; for 1h;
Stage #2: 5-amino-2,4,6-triiodoisophthalic acid dichloride; metanol at 12℃; for 6h;
Stage #3: With 2-ethoxy-ethanol more than 3 stages;		90%
Stage #1: (S)-2-acetoxypropanoyl chloride In N,N-dimethyl acetamide at -2 - 0℃; for 1h;
Stage #2: 5-amino-2,4,6-triiodoisophthalic acid dichloride; metanol In N,N-dimethyl acetamide at 12℃; for 6h;
Stage #3: With 2-ethoxy-ethanol more than 3 stages;		89%
With N,N-dimethylacetamide hydrochloride In ISOPROPYLAMIDE at 10 - 25℃;
2-acetoxypropionyl chloride
38939-83-2

2-acetoxypropionyl chloride

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

L-5-(2-acetoxy-propionylamino)-2,4,6-triiodo-isophthalic acid dichloride

L-5-(2-acetoxy-propionylamino)-2,4,6-triiodo-isophthalic acid dichloride

Conditions
ConditionsYield
Zinc chloride In dichloromethane90.6%
In ISOPROPYLAMIDE; water; acetone
2-methoxyacetic acid
625-45-6

2-methoxyacetic acid

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

5-Methoxyacetamido-2,4,6-triiodoisophthaloyl chloride
76350-03-3

5-Methoxyacetamido-2,4,6-triiodoisophthaloyl chloride

Conditions
ConditionsYield
Stage #1: 2-methoxyacetic acid With bis(trichloromethyl) carbonate In dichloromethane for 3h; Reflux;
Stage #2: 5-amino-2,4,6-triiodoisophthalic acid dichloride In dichloromethane; N,N-dimethyl acetamide; water for 5.5h;		90%
With thionyl chloride In water; N,N-dimethyl-formamide
5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

malonoyl dichloride
1663-67-8

malonoyl dichloride

5,5′-[malonylbis(azanediyl)]bis(2,4,6-triiodoisophthaloyl dichloride)
79944-44-8

5,5′-[malonylbis(azanediyl)]bis(2,4,6-triiodoisophthaloyl dichloride)

Conditions
ConditionsYield
In tetrahydrofuran at 20 - 50℃; Inert atmosphere;89.4%
In tetrahydrofuran for 6h; Heating;83%
In 1,4-dioxane81%
[(4-aminophenyl)ethoxycarbonylmethylamino]acetic acid ethyl ester
112335-76-9

[(4-aminophenyl)ethoxycarbonylmethylamino]acetic acid ethyl ester

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

C36H40I3N5O10
915228-76-1

C36H40I3N5O10

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl acetamide at 20℃; for 24h;85%
tetrahydrofuran-2-carbonyl chloride
52449-98-6

tetrahydrofuran-2-carbonyl chloride

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

N-[3,5-Bis(chlorocarbonyl)-2,4,6-triiodo-phenyl]tetrahydro-2-furancarboxamide
153714-17-1

N-[3,5-Bis(chlorocarbonyl)-2,4,6-triiodo-phenyl]tetrahydro-2-furancarboxamide

Conditions
ConditionsYield
In tetrahydrofuran; n-heptane for 6.5h; Heating;81%
In tetrahydrofuran
ethylenediamine
107-15-3

ethylenediamine

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

5-amino-N,N'-bis-(2-aminoethyl)-2,4,6-triiodoisophthalamide
869339-38-8

5-amino-N,N'-bis-(2-aminoethyl)-2,4,6-triiodoisophthalamide

Conditions
ConditionsYield
Stage #1: ethylenediamine; 5-amino-2,4,6-triiodoisophthalic acid dichloride In tetrahydrofuran at 20℃; for 15h;
Stage #2: With lithium hydroxide In ethanol; water pH=8.0;		77%
1-amino-2-propene
107-11-9

1-amino-2-propene

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

5-amino-3-allylcarbamoyl-2,4,6-triiodobenzoyl chloride
1071506-72-3

5-amino-3-allylcarbamoyl-2,4,6-triiodobenzoyl chloride

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 12h; Solvent; Cooling with ice;63%
In tetrahydrofuran at 0℃; for 10h;60%
N-methyl-N-allylamine
627-37-2

N-methyl-N-allylamine

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

3-(allyl-methyl-carbamoyl)-5-amino-2,4,6-triiodo-benzoyl chloride
946506-01-0

3-(allyl-methyl-carbamoyl)-5-amino-2,4,6-triiodo-benzoyl chloride

Conditions
ConditionsYield
In tetrahydrofuran at 50℃; for 18h;59%
In tetrahydrofuran at 50℃;
3-Amino-1,2-propanediol
616-30-8, 13552-31-3

3-Amino-1,2-propanediol

serinol
534-03-2

serinol

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

5-amino-N1-(1,3-dihydroxypropan-2-yl)-N3-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
1096689-22-3

5-amino-N1-(1,3-dihydroxypropan-2-yl)-N3-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

Conditions
ConditionsYield
Stage #1: 3-Amino-1,2-propanediol; 5-amino-2,4,6-triiodoisophthalic acid dichloride With triethylamine In N,N-dimethyl acetamide at -24 - 2℃; for 24h;
Stage #2: serinol In N,N-dimethyl acetamide at 0 - 40℃; for 44h;		57%
Stage #1: 3-Amino-1,2-propanediol; 5-amino-2,4,6-triiodoisophthalic acid dichloride With triethylamine In ISOPROPYLAMIDE at -24 - 2℃;
Stage #2: serinol In ISOPROPYLAMIDE at 0 - 40℃;
With triethylamine In water; 2,4-dichlorophenoxyacetic acid dimethylamine
...Expand
phosgene
75-44-5

phosgene

ethylenediamine
107-15-3

ethylenediamine

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

2,4,6-triiodo-5-[2-(2,2,2-trifluoroacetylamino)-acetylamino]-isophthalic acid dichloride

2,4,6-triiodo-5-[2-(2,2,2-trifluoroacetylamino)-acetylamino]-isophthalic acid dichloride

Conditions
ConditionsYield
Stage #1: phosgene; 5-amino-2,4,6-triiodoisophthalic acid dichloride In 1,4-dioxane; toluene at 60℃; for 24h;
Stage #2: ethylenediamine In tetrahydrofuran at 20℃; for 25h;
Stage #3: With lithium hydroxide In water pH=8.0;		53%
Stage #1: phosgene; 5-amino-2,4,6-triiodoisophthalic acid dichloride In 1,4-dioxane; toluene at 60℃; for 24h;
Stage #2: ethylenediamine In tetrahydrofuran at 20℃; for 25h;
Stage #3: With lithium hydroxide In water pH=8.0;		53%
...Expand
5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

methylamine
74-89-5

methylamine

5-amino-2,4,6-triiodo-3-N-methylaminocarbonylbenzoic acid chloride
51935-29-6

5-amino-2,4,6-triiodo-3-N-methylaminocarbonylbenzoic acid chloride

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 20℃; for 48h;52%
serinol
534-03-2

serinol

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

S-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-amino-2,4,6-triiodo-1,3-benzenedicarboxamide
60166-98-5

S-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-amino-2,4,6-triiodo-1,3-benzenedicarboxamide

Conditions
ConditionsYield
for 0.5h; Milling;47%
In N,N-dimethyl acetamide for 16h; Ambient temperature;
3-Amino-1,2-propanediol
616-30-8, 13552-31-3

3-Amino-1,2-propanediol

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
76801-93-9

5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

Conditions
ConditionsYield
In N,N-dimethyl acetamide for 16h; Ambient temperature;
With triethylamine In N,N-dimethyl acetamide at 50℃; for 3.5h; Cooling with ice;
morpholine
110-91-8

morpholine

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

[3-amino-2,4,6-triiodo-5-(morpholine-4-carbonyl)-phenyl]-morpholin-4-yl-methanone
956914-71-9

[3-amino-2,4,6-triiodo-5-(morpholine-4-carbonyl)-phenyl]-morpholin-4-yl-methanone

Conditions
ConditionsYield
In tetrahydrofuran at 20℃;
N-methyl-N-allylamine
627-37-2

N-methyl-N-allylamine

5-amino-2,4,6-triiodoisophthalic acid dichloride
37441-29-5

5-amino-2,4,6-triiodoisophthalic acid dichloride

N,N'-diallyl-5-amino-2,4,6-triiodo-N,N'-dimethyl-isophthalamide
946506-02-1

N,N'-diallyl-5-amino-2,4,6-triiodo-N,N'-dimethyl-isophthalamide

Conditions
ConditionsYield
In tetrahydrofuran at 20℃;

5-Amino-2,4,6- triiodisophthaloyl acid dichloride Chemical Properties

The Molecular Structure of 1,3-Benzenedicarbonyldichloride, 5-amino-2,4,6-triiodo- (CAS NO.37441-29-5):

Empirical Formula: C8H2Cl2I3NO2
Molecular Weight: 595.7264
Nominal Mass: 595 Da
Average Mass: 595.7264 Da
Monoisotopic Mass: 594.659639 Da 
Index of Refraction: 1.795
Molar Refractivity: 89.698 cm3
Molar Volume: 210.748 cm3 
Surface Tension: 78.65 dyne/cm
Density: 2.827 g/cm3
Flash Point: 296.622 °C
Enthalpy of Vaporization: 85.107 kJ/mol
Boiling Point: 566.853 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

5-Amino-2,4,6- triiodisophthaloyl acid dichloride Safety Profile

Hazard Codes: IrritantXiDangerousN
Risk Statements: 43-51/53 
R43: May cause sensitization by skin contact
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 22-36/37-61 
S22: Do not breathe dust
S36/37: Wear suitable protective clothing and gloves
S61: Avoid release to the environment. Refer to special instructions / safety data sheets

5-Amino-2,4,6- triiodisophthaloyl acid dichloride Specification

 1,3-Benzenedicarbonyldichloride, 5-amino-2,4,6-triiodo- (CAS NO.37441-29-5) is also called as 5-amino-2,4,6-triodoisophthalolylchloride ; 5-amino-2,4,6- triiodisophthaloyl acid dichloride ; 5-amino-2,4,6-triiodo-isophtaloyl dichloride ; 5-amino-2,4,6-triiodoisophthaloyl dichloride ; 5-amino-2,4,6-triiodoiso phthaloyl chloride ; 5-amino-2,4,6-triiodisophthaloyl dichloride ; 5-amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid dichloride ; 5-amino-2,4,6-triiodoisophthaloydichloride

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