2-Methyl-2-propanyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate | CAS No. 77497-74-6

2-Methyl-2-propanyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

Basic Information

CAS Number

77497-74-6

Molecular Formula

C14H19NO2

Molecular Weight

233.31 g/mol

AD

Basic Physical Properties

Water Solubility

Soluble in water.

CC(C)(C)OC(=O)C1CC2=CC=CC=C2CN1

InChI

InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)12-8-10-6-4-5-7-11(10)9-15-12/h4-7,12,15H,8-9H2,1-3H3/t12-/m0/s1

InChIKey

KRSUDBIZXKOKGA-LBPRGKRZSA-N

LogP

2.0425999999999997

Topological Polar Surface Area

38.33 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

282

Synonyms & References

English

  • MFCD04114841
  • 3-PYRIDINEACETICACID,6-METHYL-,ETHYLESTER
  • KRSUDBIZXKOKGA-LBPRGKRZSA-N
  • (S)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID TERT-BUTYL ESTER
  • DTXSID90429387
  • (S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid tert-butyl ester hydrochloride
  • (S)-TERT-BUTYL 1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLATE
  • tert.-butyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
  • EN300-6507966
  • TERT-BUTYL (S)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLATE
  • AS-10254
  • CS-0101222
  • Tic-OBut
  • (S)-TERT-BUTYL1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLATE
  • 77497-74-6
  • (S)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID T-BUTYL ESTER
  • tert-butyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
  • AKOS017342999
  • tert-butyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
  • SCHEMBL5967579
  • 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, (3S)-
  • (S)-tert-Butyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
  • tert-Butyl (S)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylate
  • (3S)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid tert-butyl ester
  • (S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,1,1-dimethylethyl ester
  • THIQ tert-butyl ester

MDL Number

MFCD04114841

Customs Code

2933499090

FAQ

What regulatory guidelines apply to 2-Methyl-2-propanyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (CAS: 77497-74-6)?

The compound 2-Methyl-2-propanyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (CAS: 77497-74-6) is regulated under the GHS system, which categorizes it based on its health and environmental hazards. In the EU, it falls under the REACH regulations, requiring manufacturers and importers to register substances above a certain tonnage threshold. Additionally, FDA and EPA may have specific requirements for its use and disposal in pharmaceutical and agricultural applications.

Are there alternatives to 2-Methyl-2-propanyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (CAS: 77497-74-6) in synthesis?

Yes, there are alternatives to 2-Methyl-2-propanyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (CAS: 77497-74-6) in synthesis. Common alternatives include related isoquinoline derivatives or isomers such as 2-methyl-2-propanyl (3R)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate. Other substitutes may include synthetic intermediates like 3-aminomethyltetrahydroisoquinoline, which can be used as a replacement in similar chemical processes.

What is the market or research trend for 2-Methyl-2-propanyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (CAS: 77497-74-6)?

The market for 2-Methyl-2-propanyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (CAS: 77497-74-6) is driven by its applications in pharmaceuticals and agrochemicals. Research trends are focused on exploring its potential as a precursor in drug synthesis and as an active ingredient in crop protection products. There is also increasing interest in its use as a chiral auxiliary in asymmetric synthesis.

How should waste containing 2-Methyl-2-propanyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (CAS: 77497-74-6) be handled?

Waste containing 2-Methyl-2-propanyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (CAS: 77497-74-6) should be collected in appropriate containers and stored in a well-ventilated area. For disposal, it should be handed to a licensed waste management facility. Environmental protection measures include ensuring no spills and proper containment to prevent contamination. Hazardous waste regulations should be strictly followed to ensure environmental safety.

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