Iopanoic acid supplier | CasNO.96-83-3

Name
Iopanoic acid
EINECS 202-539-9
CAS No. 96-83-3
Density 2.427 g/cm³
Solubility 348.3mg/L(37 oC)
Melting Point 153 °C
Formula C₁₁H₁₂I₃NO₂
Boiling Point 529.058 °C at 760 mmHg
Molecular Weight 570.935
Flash Point 273.765 °C
Transport Information
Appearance
Safety 22-26-36/37/39
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms Hydrocinnamicacid, 3-amino-a-ethyl-2,4,6-triiodo-(6CI,7CI,8CI);2-(3-Amino-2,4,6-triiodobenzyl)butyric acid;3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid;3-Amino-a-ethyl-2,4,6-triiodohydrocinnamicacid;Bilijodon;Cholevid;Colepax;Copanoic;Iodopanoic acid;Iopagnost;Iopanoicum;NSC41706;a-Ethyl-b-(3-amino-2,4,6-triiodophenyl)propionicacid;
PSA 63.32000
LogP 4.31710

Synthetic route

: 16623-25-9
2-(3-amino-benzyl)-butyric acid

: 96-83-3
iopanoic acid

Conditions

Conditions	Yield
With hydrogenchloride; Iodine monochloride

: 5253-02-1
2-(3-Nitro-benzyliden)-buttersaeure

: 96-83-3
iopanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Raney nickel; sodium hydroxide; diethyl ether / Hydrogenation 2: iodine monochloride; aqueous hydrochloric acid View Scheme

: 53-43-0
dehydroepiandrosterone

: 96-83-3
iopanoic acid

: 83172-20-7
dehydroepiandrosterone iopanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	98%

: 96-83-3
iopanoic acid

: 79-04-9
chloroacetyl chloride

: 80980-80-9
3-<(chloroacetyl)amino>-α-ethyl-2,4,6-triiodobenzenepropanoic acid

Conditions

Conditions	Yield
With ISOPROPYLAMIDE for 0.5h; Ambient temperature;	95%
With hydrogenchloride; sodium hydroxide In water; 2,4-dichlorophenoxyacetic acid dimethylamine	95.3%

: 57-88-5
cholesterol

: 96-83-3
iopanoic acid

: 83172-18-3
cholesteryl iopanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	95%
With sodium hydride; 1,1'-carbonyldiimidazole 1) THF, reflux, 10 min; 2) THF, room temperature, 1 h; Yield given. Multistep reaction;

: 145-13-1
Pregnenolone

: 96-83-3
iopanoic acid

: 83172-19-4
pregnenolone iopanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	93%

: 62147-49-3
1,3-dihydroxyacetone dimer

: 96-83-3
iopanoic acid

: 103959-66-6
1,3-dihydroxypropan-2-one 1,3-diiopanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 66h;	85%

: 64-17-5
ethanol

: 96-83-3
iopanoic acid

: 100850-30-4
(+/-)-iopanoic acid ethyl ester

Conditions

Conditions	Yield
With thionyl chloride for 3h; Heating;	82.4%

: 79-37-8
oxalyl dichloride

: 61435-75-4
6-<(chloroacetyl)amino>hexanoic acid

: 96-83-3
iopanoic acid

: 160982-41-2
3-<<6-<(chloroacetyl)amino>-1-oxohexyl>amino>-α-ethyl-2,4,6-triiodobenzenepropanoic acid

Conditions

Conditions	Yield
With pyridine; hydrogenchloride In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile	79%

...Expand

: 96-83-3
iopanoic acid

: 69256-58-2
1-palmitoyl-3-O-trityl-rac-glycerol

: 1-palmitoyl-2-iopanoyl-3-O-trityl-rac-glycerol

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	60%

: 3443-84-3, 13822-11-2, 116435-34-8
2-Oleoylglycerol

: 96-83-3
iopanoic acid

: 2-oleoylglycerol 1,3-bis

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 72h; Ambient temperature;	53%

: 305847-08-9
rac-1-monopalmitoylglycerol

: 96-83-3
iopanoic acid

: 1-palmitoyl-3-iopanoyl-rac-glycerol

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane	49%

: 96-83-3
iopanoic acid

: 103980-81-0
glyceryl 1,3-diiopanoate

: 103959-76-8
glyceryl 1,2,3-triiopanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	34%

: 4394-85-8
4-morpholinecarboxaldehyde

: 96-83-3
iopanoic acid

: 101286-38-8
2-(2,4,6-triiodo-3-morpholin-4-ylmethyleneamino-benzyl)-butyric acid

Conditions

Conditions	Yield
With trichlorophosphate

: 96-83-3
iopanoic acid

: 51374-95-9
ω-(2,4,6-triiodophenyl)-α-ethyl-propionic acid

Conditions

Conditions	Yield
With sulfuric acid; copper; sodium nitrite 1) glac. AcOH, 12 deg C, 45 min, 2) glac. AcOH, MeOH, 20 deg C, 30 min.; Yield given. Multistep reaction;

: 61435-75-4
6-<(chloroacetyl)amino>hexanoic acid

: 96-83-3
iopanoic acid

: 160982-41-2
3-<<6-<(chloroacetyl)amino>-1-oxohexyl>amino>-α-ethyl-2,4,6-triiodobenzenepropanoic acid

Conditions

Conditions	Yield
With pyridine; oxalyl dichloride 1.) DMF, CH2Cl2, 5 deg C, 1 h, 2.) THF, CH3CN, 5 deg C, then 40 deg C, 2 h, 3.) THF, reflux, 3 h; Yield given. Multistep reaction;

: 96-83-3
iopanoic acid

: 160982-42-3
3-<<6-<<<2-<(2-aminoethyl)amino>ethyl>amino>acetylamino>-1-oxoethyl>amino>-α-ethyl-2,4,6-triiodobenzenepropanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) oxalyl dichloride, 2.) pyridine / 1.) DMF, CH2Cl2, 5 deg C, 1 h, 2.) THF, CH3CN, 5 deg C, then 40 deg C, 2 h, 3.) THF, reflux, 3 h 2: 48 percent / 6 h / 50 °C View Scheme

: 96-83-3
iopanoic acid

: 175732-28-2
α-ethyl-2,4,6-triiodo-3-<<1-oxo-6-<<(1,4,7,10-tetraazacyclododec-1-yl)acetyl>amino>hexyl>amino>benzenepropanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) oxalyl dichloride, 2.) pyridine / 1.) DMF, CH2Cl2, 5 deg C, 1 h, 2.) THF, CH3CN, 5 deg C, then 40 deg C, 2 h, 3.) THF, reflux, 3 h 2: 59 percent / dimethylacetamide / 0.5 h / 70 °C View Scheme

: 96-83-3
iopanoic acid

: 3-<<<2-<(2-aminoethyl)amino>ethyl>amino>acetylamino>-α-ethyl-2,4,6-triiodobenzenepropanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 95 percent / dimethylacetamide / 0.5 h / Ambient temperature 2: 57 percent / 2.) conc. HCl / 3 h / 50 °C View Scheme

: 96-83-3
iopanoic acid

: 10-<2-<<3-(2-carboxybutyl)-2,4,6-triiodophenyl>amino>-2-oxoethyl>-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 95 percent / dimethylacetamide / 0.5 h / Ambient temperature 2: 60 percent / 1.) dimethylacetamide, 2.) HCl / 1.5 h / 60 °C 3: 13 percent / 2N NaOH / H2O / 20 h / 50 °C / pH = 10 View Scheme

: 96-83-3
iopanoic acid

: 3-<<<<2-<<2-ethyl>(carboxymethyl)amino>ethyl>(carboxymethyl)amino>acetyl>amino>-α-ethyl-2,4,6-triiodobenzenepropanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 95 percent / dimethylacetamide / 0.5 h / Ambient temperature 2: 57 percent / 2.) conc. HCl / 3 h / 50 °C 3: 33 percent / 10N NaOH / H2O / 20 h / Ambient temperature; pH = 10 View Scheme

: 96-83-3
iopanoic acid

: α-ethyl-2,4,6-triiodo-3-<<(1,4,7,10-tetraazacyclododec-1-yl)acetyl>amino>benzenepropanoic acid trishydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 95 percent / dimethylacetamide / 0.5 h / Ambient temperature 2: 60 percent / 1.) dimethylacetamide, 2.) HCl / 1.5 h / 60 °C View Scheme

: 96-83-3
iopanoic acid

: 10-<2-<<6-<<3-(2-carboxybutyl)-2,4,6-triiodophenyl>amino>-6-oxohexyl>amino>-2-oxoethyl>-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1.) oxalyl dichloride, 2.) pyridine / 1.) DMF, CH2Cl2, 5 deg C, 1 h, 2.) THF, CH3CN, 5 deg C, then 40 deg C, 2 h, 3.) THF, reflux, 3 h 2: 59 percent / dimethylacetamide / 0.5 h / 70 °C 3: 48 percent / 10N NaOH / H2O; ethanol / 18 h / Ambient temperature; pH = 9 View Scheme

: 96-83-3
iopanoic acid

: 18-<<3-(2-carboxybutyl)-2,4,6-triiodophenyl>amino>-3,6,9-tris(carboxymethyl)-11,18-dioxo-3,6,9,12-tetraazaoctadecanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1.) oxalyl dichloride, 2.) pyridine / 1.) DMF, CH2Cl2, 5 deg C, 1 h, 2.) THF, CH3CN, 5 deg C, then 40 deg C, 2 h, 3.) THF, reflux, 3 h 2: 48 percent / 6 h / 50 °C 3: 41 percent / 10N NaOH / H2O / 3 h / 50 °C / pH = 10 View Scheme

: 96-83-3
iopanoic acid

: 1-palmitoyl-2-iopanoyl-rac-glycerol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 60 percent / 4-(dimethylamino)pyridine, dicyclohexylcarbodiimide / CH2Cl2 / Ambient temperature 2: 97 percent / 10 percent H3BO3/ silica gel / petroleum ether; diethyl ether View Scheme

: 96-83-3
iopanoic acid

: pregnenolone<ω-(2,4,6-triiodophenyl)-α-ethyl>-propionate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1) NaNO2, conc. H2SO4, 2) Cu powder / 1) glac. AcOH, 12 deg C, 45 min, 2) glac. AcOH, MeOH, 20 deg C, 30 min. 2: 79 percent / dicyclohexylcarbodiimide, 4-dimethylaminopyridine / CH2Cl2 / 24 h / Ambient temperature View Scheme

: 96-83-3
iopanoic acid

: cholesteryl<ω-(2,4,6-triiodophenyl)-α-ethyl>-propionate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1) NaNO2, conc. H2SO4, 2) Cu powder / 1) glac. AcOH, 12 deg C, 45 min, 2) glac. AcOH, MeOH, 20 deg C, 30 min. 2: 75 percent / dicyclohexylcarbodiimide, 4-dimethylaminopyridine / CH2Cl2 / 24 h / Ambient temperature View Scheme

: 96-83-3
iopanoic acid

: 103980-81-0
glyceryl 1,3-diiopanoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 85 percent / 4-dimethylaminopyridine (DMAP), 1,3-dicyclohexylcarbodiimide (DCC) / CH2Cl2 / 66 h 2: 75 percent / NaBH4 / tetrahydrofuran; benzene; H2O / 0.5 h / 5 °C View Scheme

: 96-83-3
iopanoic acid

: 103959-73-5
2-palmitoylglycerol 1,3-diiopanoate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 85 percent / 4-dimethylaminopyridine (DMAP), 1,3-dicyclohexylcarbodiimide (DCC) / CH2Cl2 / 66 h 2: 75 percent / NaBH4 / tetrahydrofuran; benzene; H2O / 0.5 h / 5 °C 3: 75 percent / 4-dimethylaminopyridine (DMAP), 1,3-dicyclohexylcarbodiimide (DCC) / CH2Cl2 / 66 h View Scheme

: 96-83-3
iopanoic acid

: 103959-76-8
glyceryl 1,2,3-triiopanoate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 85 percent / 4-dimethylaminopyridine (DMAP), 1,3-dicyclohexylcarbodiimide (DCC) / CH2Cl2 / 66 h 2: 75 percent / NaBH4 / tetrahydrofuran; benzene; H2O / 0.5 h / 5 °C 3: 34 percent / 4-dimethylaminopyridine (DMAP), 1,3-dicyclohexylcarbodiimide (DCC) / CH2Cl2 / Ambient temperature View Scheme

Iopanoic acid Chemical Properties

IUPAC Name: 2-[(3-Amino-2,4,6-triiodo-phenyl)methyl]butanoic acid
CAS: 96-83-3
EINECS: 202-539-9
Product Categories:
Following is the Molecular Structure of Iopanoic acid (96-83-3):

SMILES: Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC
InChI: InChI=1/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
InChIKey: OIRFJRBSRORBCM-UHFFFAOYAN
Std.InChI: InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
Std.InChIKey: OIRFJRBSRORBCM-UHFFFAOYSA-N
Molecular Formula: C₁₁H₁₂I₃NO₂
Molecular Weight: 570.93
Melting Point: 153℃
Boiling Point: 529.1℃ at 760mmHg
Flash Point: 273.8℃
Molar Volume: 235.2cm³
Density: 2.426g/cm³
Index of Refraction: 1.732
Molar Refractivity: 94.18cm³
Surface Tension: 67.7dyne/cm
Polarizability: 37.33 10^-24cm³
Enthalpy of Vaporization: 84.63kJ/mol
Vapour Pressure: 5.06E-12mmHg at 25℃

Iopanoic acid Uses

Iopanoic acid (96-83-3) can be used for the medication.

Iopanoic acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	86mg/kg/1W-I (86mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Archives of Dermatology. Vol. 123, Pg. 387, 1987.
mouse	LD50	intraperitoneal	1230mg/kg (1230mg/kg)		Drugs in Japan Vol. -, Pg. 103, 1990.
mouse	LD50	intravenous	320mg/kg (320mg/kg)		Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970.
mouse	LD50	oral	6600mg/kg (6600mg/kg)		Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970.
rat	LD50	intraperitoneal	1520mg/kg (1520mg/kg)		Drugs in Japan Vol. -, Pg. 103, 1990.
rat	LD50	intravenous	280mg/kg (280mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Toxicology and Applied Pharmacology. Vol. 14, Pg. 232, 1969.
rat	LD50	oral	1540mg/kg (1540mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Toxicology and Applied Pharmacology. Vol. 14, Pg. 232, 1969.
women	TDLo	oral	60mg/kg (60mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING BLOOD: THROMBOCYTOPENIA SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Clinical Toxicology. Vol. 18, Pg. 221, 1981.

Iopanoic acid Safety Profile

Risk Statements: 20/21/22
R20: Harmful by inhalation.
R21: Harmful in contact with skin.
R22: Harmful if swallowed.
Safety Statements: 22-26-36/37/39
S22: Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RTECS: NW5075000
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. Human systemic effects by ingestion: dermatitis, nausea or vomiting, thrombocytopenia. Experimental reproductive effects.

Iopanoic acid Specification

Iopanoic acid (96-83-3),which also can be called for 3-Amino-alpha-ethyl-2,4,6-triiodo-benzenepropanoicaci ; 3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoicacid ; 3-Amino-alpha-ethyl-2,4,6-triiodo-hydrocinnamicaci ; 3-Amino-ethyl-2,4,6-triiodobenaenepropanoicacid ; 3-Amino-ethyl-2,4,6-triiodohydrocinnamicacid ; Beta-(3-amino-2,4,6-triiodophenyl)-alpha-ethylpropionicacid ; Bilijodon ; Choladine .When Iopanoic acid (96-83-3) was heated,it emits toxic fumes of I− and NOx .This chemical is insoluble in water.

Product Name

Iopanoic acid

Synthetic route

Iopanoic acid Chemical Properties

Iopanoic acid Uses

Iopanoic acid Toxicity Data With Reference

Iopanoic acid Safety Profile

Iopanoic acid Specification

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