ChemicalBook CAS DataBase List 171489-59-1

171489-59-1

Name	(1R,3R)-METHYL-1,2,3,4-TETRAHYDRO-2-CHLOROACETYL-1-(3,4-METHYLENEDIOXYPHENYL)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE
CAS	171489-59-1
Molecular Formula	C22H19ClN2O5
MDL Number	MFCD04973633
Molecular Weight	426.85
MOL File	171489-59-1.mol

Synonyms

TDF-M2 Methyl (1R,3R Tadanafil P-1 Chloropretadalafil adalafil impurity 1 Tadaafil Intermediate B]indole-3-carboxylate Intermediate of Tadalafil 3 Tadalafil IMpurity: IMpurity E Tadalafil Chloroacetyle Impurity Chloropretadalafil (Methyl (1R,3R)- (1R,3R)-methyl-1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4-meth... YL-1-(3,4-METHYLENEDIOXYPHENYL)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3 (1R,3R)-Methyl-1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-b]" (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b (1R,3R)- methyl -1,2,3,4-tetrahydro-1-(3,4- methylenedioxyphenyl)-9H-pyrido [3,4-B]indole-3-carboxyl Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylate (1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9- tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetra-hydro-1H-pyrido[3,4-b]indole-3-carboxylate (1R3R)-METHYL-1,23.4-TETRAHYDRO-2-CHLOROACETL-1-(3.4-METHYLENEDIOXYPHENYL)-9H-PYRIDO[3.4-BJINDOLE-3-CARBOXYLATE (1R,3R)-METHYL-1,2,3,4-TETRAHYDRO-2-CHLOROACETYL-1-(3,4-METHYLENEDIOXYPHENYL)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE (1R,3R)-Methyl 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-Pyrido[3,4-b]indole-3-carboxylate (6R,12aR)-methyl1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate (6R.12aR)-Methyl-1,2,3,4-tetrahydro-2-chloroacetyl1-1(3,4-Methylenedioxyphenyl)9H-pyrido-[3,4-b]-indole-3-Carbxylate (1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylicacidmethyeste methyl(1R,3R)-1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b] indole-3-carboxylic acid methy ester (1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-B]indole-3-carboxylic acid methyl ester (1R,3R)-1-(1,3-BENZODIOXOL-5-YL)-2-(CHLOROACETYL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B] INDOLE-3-CARBOXYLIC ACID METHYL ESTER (1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-, methyl ester, (1R,3R)- (6R, 12aR)-methyl 1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4- Tadalafil methylenedioxyphenyl)-9H-pyridol[3,4-b]indole-3- carboxylate Chloropretadalafil (Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido-[3,4-b]indole-3-carboxylate) (1R, 3R) -1- (1,3-benzodioxolane 5-yl) -2- (chloroacetyl) -2,3,4,9-tetrahydro-1H-pyridino [3,4-B] indole-3-carboxylic acid methyl ester (1R,3R)-Methyl-1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4-Methylenedioxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate (Chloropretadalafil) An intermediate in the synthesis of Tadalafil, which is used for the treatment of erectile dysfunction. A phosphodiesterase 5 inhibitor. Tadalafil intermediates，(1R,3R)-methyl-1,2,3,4-tetrahydro-2- chloroacetyl-1-(3,4- methylenedioxyphenyl)-9H-pyrido[3,4- B]indole-3-carboxylate

Chemical Properties

Melting point	230-232℃
Boiling point	627.5±55.0 °C(Predicted)
density	1.445
storage temp.	-20°C Freezer, Under Inert Atmosphere
solubility	Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
form	Solid
pka	16.25±0.60(Predicted)
color	White to Pale Orange
InChI	InChI=1S/C22H19ClN2O5/c1-28-22(27)16-9-14-13-4-2-3-5-15(13)24-20(14)21(25(16)19(26)10-23)12-6-7-17-18(8-12)30-11-29-17/h2-8,16,21,24H,9-11H2,1H3/t16-,21-/m1/s1
InChIKey	JUKHNCNDFOAFLT-IIBYNOLFSA-N
SMILES	N1C2=C(C=CC=C2)C2C[C@H](C(OC)=O)N(C(CCl)=O)[C@H](C3=CC=C4OCOC4=C3)C1=2

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H335-H315-H319
Precautionary statements	P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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