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HomeProduct name list(1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

(1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

  • CAS NO.:171752-68-4
  • Empirical Formula: C20H19ClN2O4
  • Molecular Weight: 386.82886
  • MDL number: MFCD09842269
  • EINECS: 1592732-453-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-30 18:52:02
(1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride Structural

What is (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride?

Preparation

D-tryptophan methyl ester hydrochloride and piperonal chloride dissolved in redistilled tetrahydrofuran and then added trifluoroacetic acid. Stir the reaction at 30 ° C for 10 h under the protection of nitrogen. Add sodium triacetoxyborohydride and continue the reaction for 3 hours. After the reaction is monitored by a TLC plate, the reaction solution is concentrated to about 10 mL, deionized water is added, and extracted with ethyl acetate twice. Saturated sodium chloride was washed twice, and dried under reduced pressure to obtain (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride. The yield was 86.95%, the purity was 98.76%.
(1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

Properties of (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

Melting point: 239-241 °C
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  DMSO (Slightly, Sonicated), Methanol (Slightly)
form  Solid
color  Off-White to Pale Yellow
Stability: Hygroscopic
InChI InChI=1/C20H18N2O4.ClH/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16;/h2-8,15,18,21-22H,9-10H2,1H3;1H/t15-,18-;/s3

Safety information for (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

InChIKey ROYJOKDTCKPQHK-QHWQFTOMNA-N
SMILES C12[C@@H](C3=CC=C4OCOC4=C3)N[C@H](CC=1C1C(=CC=CC=1)N2)C(OC)=O.Cl |&1:1,12,r|

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