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Home > Encyclopedia > 1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinebutanoic acid

1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinebutanoic acid

1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinebutanoic acid structure

1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinebutanoic acid 

structure
  • CAS No:

    142247-38-9

  • Formula:

    C14H25NO4

  • Chemical Name:

    1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinebutanoic acid

  • Synonyms:

    4-Piperidinebutanoic acid,1-[(1,1-dimethylethoxy)carbonyl]-;1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinebutanoic acid;4-(1-tert-Butoxylcarbonyl-4-piperidyl)butyric acid;4-[1-(N-tert-Butoxycarbonyl)piperidin-4-yl]butanoic acid;4-(1-Boc-piperidin-4-yl)butanoic acid;4-[1-(Tertbutoxycarbonyl)piperidin-4-yl]butanoic acid;4-[1-(tert-Butoxycarbonyl)piperidin-4-yl]butanoic acid;919360-67-1

  • Categories:

    Pharmaceutical Intermediates  >  Cardiovascular Agents

Description

White powder

1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinebutanoic acid Basic Attributes

271.35

271.35

DTXSID30439344

29333990

Characteristics

66.8

2.3

1.085±0.06 g/cm3(Predicted)

399.7±15.0 °C(Predicted)

195.5±20.4 °C

1.485

Store at 0-5°C

Safety Information

IRRITANT

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinebutanoic acid Use and Manufacturing

Step A To a solution of 4-(l-(tert-butoxycarbonyl)piperidin-4-yl)butanoic acid (542 mg, 2 mmol) and DIPEA (774 mg, 6 mmol) in DMF (8 mL) at 0 C was added HATU (800 mg, 2.1 mmol). After stirring at 0 C for 1 h, (R)-2-phenyl-l-((3aS, 4S, 6S, 7aR)-3a, 5, 5-trimethylhexahydro-4, 6- methanobenzo[d] [l, 3, 2]dioxaborol-2-yl)ethan-l-amine (600 mg, 2 mmol) was added. The resulting mixture was stirred at rt for 4 h, before partitioned between HC1 (1 M) and EtOAc. The organic layer was washed with aq. NaHCCb, water and brine, dried over Na2S04 and filtrated. The filtration was concentrated to dryness to afford tert-butyl 4-(4-oxo-4-(((R)-2-phenyl-l-((3aS, 4S, 6S, 7aR)-3a, 5, 5-trimethylhexahydro- 4, 6-methanobenzo[d][l, 3, 2] dioxaborol-2-yl)ethyl)amino)butyl) piperidine- 1 -carboxylate (700 mg, 66%) as an off-white solid.

Computed Properties

Molecular Weight:271.35
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:271.17835828
Monoisotopic Mass:271.17835828
Topological Polar Surface Area:66.8
Heavy Atom Count:19
Complexity:314
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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