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[3S-(3α,4aβ,8aβ)]-N-(tert-Butyl)decahydro-3-isoquinolinecarboxamide

CAS 136465-81-1C14H26N2OChemical Synthesis

[3S-(3α,4aβ,8aβ)]-N-(tert-Butyl)decahydro-3-isoquinolinecarboxamide (CAS: 136465-81-1) is a chemical compound with the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. This isoquinoline derivative serves as a crucial building block in asymmetric synthesis, particularly in the development of pharmaceuticals. It is recognized for its presence in various HIV-1 protease inhibitors currently undergoing clinical trials.

Synonyms
136465-81-1
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[3S-(3α,4aβ,8aβ)]-N-(tert-Butyl)decahydro-3-isoquinolinecarboxamide (C14H26N2O) — chemical structure, CAS 136465-81-1; Chemistry, fine chemical supplied by Tech Serve Solutions
Application IndexAsymmetric SynthesisBiochemicals and ReagentsCell Signaling EnzymesChemical SynthesisChiral Building BlocksEnzymesInhibitorsand SubstratesHeterocyclic Building Blocks
01 /Applications

HIV Protease Inhibitor Development

This compound is a key fragment found in several HIV-1 protease inhibitors that are in clinical trials for the treatment of AIDS. Its structure contributes to the efficacy of these potential therapeutic agents.

Asymmetric Synthesis

Utilised as a chiral building block, it plays a role in asymmetric synthesis, enabling the creation of complex stereochemically defined molecules.

Pharmaceutical Intermediates

Serves as a valuable intermediate in the synthesis of active pharmaceutical ingredients (APIs), contributing to drug discovery and development processes.

Chemical Research

Employed in chemical research laboratories for its utility in exploring novel synthetic pathways and developing new chemical entities.

02 /Properties
Molecular weight238.37
Empirical formulaC14H26N2O
Assay98%
Optical activity[α]22/D −71°, c = 1 in methanol
ApplicationFragment present in various HIV-1 protease inhibitors currently in clinical trials for AIDS treatment.1,2
Melting point112-115 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Corrosive (GHS05)
Corrosive
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Danger

Hazard statements

  • H302Harmful if swallowed
  • H318Causes serious eye damage
  • H412Harmful to aquatic life with long-lasting effects

Precautionary statements

  • P273Avoid release to the environment
  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)22-41-52/53
Safety statements (S)22-26-39-61

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
136465-81-1
MDL number
MFCD01313226
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is [3S-(3α,4aβ,8aβ)]-N-(tert-Butyl)decahydro-3-isoquinolinecarboxamide used for?

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This compound is primarily used as a fragment in the development of HIV-1 protease inhibitors and as a chiral building block in asymmetric synthesis for pharmaceutical research.

What is the CAS number and formula for this chemical?

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The CAS number is 136465-81-1, and its empirical formula is C14H26N2O.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies this chemical with an assay of 98%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade.

How should this chemical be handled safely?

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This chemical is classified as harmful if swallowed and causes serious eye damage, with harmful effects on aquatic life with long lasting effects. Always wear protective gloves and eye/face protection, and avoid release to the environment. Refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

Is this product available for export?

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Yes, Tech Serve Solutions is a global supplier and exporter of fine chemicals, pharmaceutical intermediates, and laboratory reagents.

How can I request a sample or quote?

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Please contact our sales team via the website or email to request a sample or a quotation for this product.

Need [3S-(3α,4aβ,8aβ)]-N-(tert-Butyl)decahydro-3-isoquinolinecarboxamide in a specific grade or volume?