Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1) | CAS No. 77497-97-3

Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1)

Basic Information

CAS Number

77497-97-3

Molecular Formula

C24H25NO5S

Molecular Weight

439.53 g/mol

AD

Basic Physical Properties

Melting Point

145-150 °C

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(NCC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H17NO2.C7H8O3S/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,16,18H,10-12H2;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1

InChIKey

PSMBIFNNFMRIMV-NTISSMGPSA-N

LogP

3.6860200000000027

Topological Polar Surface Area

92.69999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

531

Safety Information

View Safety Information

GHS Hazard Pictograms

H411H411

Hazard Statement

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

  • Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1)
  • SCHEMBL9763993
  • EC 406-960-0
  • BenZyl (S)-(-)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate p-toluenesulfonic acid salt (H-Tic-OBn.TsOH)
  • Benzyl (S)-(-)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate p-toluenesulfonic acid salt
  • benzyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;4-methylbenzenesulfonic acid
  • (S)-3-BENZYLOXYCARBONYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINIUM 4-METHYLBENZENESULFONATE
  • Benzyl (S)-(-)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate p-toluenesulfonic acid salt, 97%
  • CS-W011603
  • 3-Benzyloxycarbonyl-1,2,3,4-tetrahydro-isoquinolinium tosylate, (S)-
  • UNII-7O3F0JS1ZO
  • 77497-97-3
  • benzyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate tosylate
  • (S)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID BENZYL ESTER;
  • 3-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-, PHENYLMETHYL ESTER, (3S)-, 4-METHYLBENZENESULFONATE (1:1)
  • Benzyl (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylate Tosylate
  • Benzyl(S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylatep-ToluenesulfonicAcidSalt
  • AS-31057
  • (s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester tosylate
  • 7O3F0JS1ZO
  • PSMBIFNNFMRIMV-NTISSMGPSA-N
  • A839116
  • Benzyl (S)-(-)-1,2,3,4-tetrahydro-3-isoquinoline-carboxylate p-toluenesulfonic acid salt
  • AKOS027256636
  • MFCD00799478
  • (S)-1,2,3,4-Tetrahydro-3-isoquinoline-carboxylic acid benzyl ester PTSA salt
  • Benzyl (S)-()-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate p-toluenesulfonic acid salt
  • (S)-3-benzyloxycarbonyl-1,2,3,4-tetrahydroisoquinolinium p-toluenesulfonate
  • benzyl (S)-(-)-1,2,3,4-tetrahydroiso-quinolinecar
  • (S)-(?)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate p-toluenesulfonic acid salt
  • Benzyl (S)-(?)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate p-toluenesulfonic acid salt

MDL Number

MFCD00799478

Customs Code

2933499090

FAQ

What regulatory guidelines apply to Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1) (CAS: 77497-97-3)?

Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1) must adhere to GHS classification, which includes health, environmental, and physical hazards. It is also regulated under REACH in the EU, requiring registration if manufactured or imported. FDA and EPA have specific requirements for the handling and disposal of such chemicals in the USA, focusing on safety and environmental protection.

Are there alternatives to Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1) (CAS: 77497-97-3) in synthesis?

Several alternatives can be explored in the synthesis of Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1). Common alternatives include using other carboxylic acid derivatives, isomers, or different sulfonate analogs. Researchers might also consider using biocatalytic routes or green chemistry methods to achieve similar functionalities.

What is the market or research trend for Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1) (CAS: 77497-97-3)?

Market trends for Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1) are growing, driven by increasing demand in pharmaceuticals and agrochemicals. Research is focusing on the development of more sustainable synthesis methods and exploring its potential in medicinal chemistry and drug discovery. Economic trends show stable pricing, with fluctuations due to supply chain issues and market demand.

How should waste containing Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1) (CAS: 77497-97-3) be handled?

Waste containing Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1) should be collected in sealed containers and disposed of through professional waste disposal services. Incineration is an option for hazardous waste, but it must be done under controlled conditions to minimize environmental impact. Proper environmental precautions include ensuring no release into the air, water, or soil to prevent ecological harm.

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