Product Name

  • Name

    Alverine citrate

  • EINECS 226-929-3
  • CAS No. 5560-59-8
  • Article Data3
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 100-102°
  • Formula C20H27N.C6H8O7
  • Boiling Point 358.8 °C at 760 mmHg
  • Molecular Weight 473.566
  • Flash Point 174.4 °C
  • Transport Information
  • Appearance COA
  • Safety 24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 5560-59-8 (Alverine citrate)
  • Hazard Symbols
  • Synonyms Alverine citrate [USAN];Alverine citrate(USAN);Dipropylamine, N-ethyl-3,3-diphenyl-, citrate (1:1) (8CI);N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine;Dipropylamine, N-ethyl-3,3-diphenyl-;N-Ethyl-3, 3-diphenyldipropylamine citrate (1:1);Prestwick_912;Benzenepropanamine,N-ethyl-N-(3-phenylpropyl)-,2-hydroxy-1,2,3-propanetricarboxylate (1:1);Dipropylamine, N-ethyl-3,3-diphenyl-, citrate (1:1);Alverine dihydrogen citrate;Benzenepropanamine, N-ethyl-N- (3-phenylpropyl)-, 2-hydroxy-1,2, 3-propanetricarboxylate (1:1);150-59-4;Antispasmin;Dipropylamine, N-ethyl-3, 3-diphenyl-, citrate;N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid;Alverine citrate salt;N-Ethyl-3,3-diphenyldipropylamine;Benzenepropanamine, N-ethyl-N-(3-phenylpropyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (9CI);Spacolin;Gamatran citrate;N-Ethyl-bis(3-phenylpropyl)amin-dihydrogencitrat;N-Ethyl-3,3-diphenyldipropylamine citrate (1:1);Dipropylamine, N-ethyl-3,3-diphenyl-, citrate;NCI 85x;
  • PSA 135.37000
  • LogP 3.32540

Synthetic route

alverine
150-59-4

alverine

citric acid
77-92-9

citric acid

alverine citrate
5560-59-8

alverine citrate

Conditions
ConditionsYield
In ethyl acetate; isopropyl alcohol at 45 - 50℃; Solvent; Temperature;92%
In ethanol at 20℃;66.9%
1-Bromo-3-phenylpropane
637-59-2

1-Bromo-3-phenylpropane

alverine citrate
5560-59-8

alverine citrate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: tetrabutylammomium bromide; sodium hydroxide / 85 - 90 °C
2: ethanol / 20 °C
View Scheme
3-Phenyl-1-propanol
122-97-4

3-Phenyl-1-propanol

alverine citrate
5560-59-8

alverine citrate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: triethylamine / dichloromethane / 0 - 30 °C
2: sodium bromide / N,N-dimethyl-formamide / 25 - 30 °C
3: N-benzyl-N,N,N-triethylammonium chloride; triethylamine / N,N-dimethyl-formamide; water / 10 - 40 °C
4: ethyl acetate; isopropyl alcohol / 45 - 50 °C
View Scheme
Multi-step reaction with 2 steps
1.1: sulfuric acid; sodium bromide / water / 20 °C / Reflux
2.1: tetrabutylammomium bromide; sodium hydroxide / 85 - 90 °C
2.2: 6 h / 15 °C
View Scheme
3-phenylpropanol methanesulfonate
69804-99-5

3-phenylpropanol methanesulfonate

alverine citrate
5560-59-8

alverine citrate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium bromide / N,N-dimethyl-formamide / 25 - 30 °C
2: N-benzyl-N,N,N-triethylammonium chloride; triethylamine / N,N-dimethyl-formamide; water / 10 - 40 °C
3: ethyl acetate; isopropyl alcohol / 45 - 50 °C
View Scheme
1-Bromo-3-phenylpropane
637-59-2

1-Bromo-3-phenylpropane

ethanamine hydrochloride
557-66-4

ethanamine hydrochloride

citric acid
77-92-9

citric acid

alverine citrate
5560-59-8

alverine citrate

Conditions
ConditionsYield
Stage #1: 1-Bromo-3-phenylpropane; ethanamine hydrochloride With tetrabutylammomium bromide; sodium hydroxide at 85 - 90℃;
Stage #2: citric acid In ethanol at 15℃; for 6h; Temperature;
10.48 g

Alverine citrate Chemical Properties

Molecular Formula: C26H35NO7
Molar mass: 473.5586 g/mol
EINECS: 226-929-3
Density: 1.27 g/cm3
Flash Point: 174.4 °C
Index of Refraction: 1.633
Boiling Point: 358.8 °C at 760 mmHg
Vapour Pressure: 2.48E-05 mmHg at 25°C
Structure of Alverine citrate (5560-59-8):
      
H-Bond Donor: 4
H-Bond Acceptor: 8
SMILES: O=C(O)C(O)(CC(=O)O)CC(=O)O.c1ccccc1CCCN(CC)CCCc2ccccc2 
InChI: InChI=1/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 
InChIKey: RYHCACJBKCOBTJ-UHFFFAOYAQ 
Std. InChI: InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 
Std. InChIKey: RYHCACJBKCOBTJ-UHFFFAOYSA-N

Alverine citrate Specification

 Alverine citrate (5560-59-8) is sulfur compounds for synthesis which also can be called for Bis(g-phenylpropyl)ethylamine Citrate ; Gamatran ; Profenine ; Di(phenylpropyl)ethylamine Citrate ; Calmabel ; Profenil .

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