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(2S,5R)-benzyl 5-(benzyloxyamino)piperidine-2-carboxylate is a piperidine derivative featuring a carboxylate ester group at position 2 and a benzyloxyamino group at position 5, both protected by benzyl groups. (2S,5R)-benzyl 5-(benzyloxyamino)piperidine-2-carboxylate is a versatile intermediate in organic synthesis and drug discovery due to its unique structure and functional groups.

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  • 1171080-44-6 Structure
  • Basic information

    1. Product Name: (2S,5R)-benzyl 5-(benzyloxyamino)piperidine-2-carboxylate
    2. Synonyms: benzyl(2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate;EOS-60409
    3. CAS NO:1171080-44-6
    4. Molecular Formula: C20H24N2O3
    5. Molecular Weight: 340.41616
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1171080-44-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 477.6±55.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.18±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 7.28±0.10(Predicted)
    10. CAS DataBase Reference: (2S,5R)-benzyl 5-(benzyloxyamino)piperidine-2-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: (2S,5R)-benzyl 5-(benzyloxyamino)piperidine-2-carboxylate(1171080-44-6)
    12. EPA Substance Registry System: (2S,5R)-benzyl 5-(benzyloxyamino)piperidine-2-carboxylate(1171080-44-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1171080-44-6(Hazardous Substances Data)

1171080-44-6 Usage

Uses

Used in Pharmaceutical Industry:
(2S,5R)-benzyl 5-(benzyloxyamino)piperidine-2-carboxylate is used as a building block for the preparation of various pharmaceuticals and bioactive compounds. Its versatile structure and functional groups make it a valuable component in the development of new drugs and therapeutic agents.
Used in Medicinal Chemistry Research:
(2S,5R)-benzyl 5-(benzyloxyamino)piperidine-2-carboxylate is utilized as a key intermediate in medicinal chemistry research, where it contributes to the synthesis of complex molecules with potential therapeutic properties. Its unique structure allows for further functionalization and modification, facilitating the exploration of novel chemical entities with improved pharmacological profiles.

Check Digit Verification of cas no

The CAS Registry Mumber 1171080-44-6 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,7,1,0,8 and 0 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1171080-44:
(9*1)+(8*1)+(7*7)+(6*1)+(5*0)+(4*8)+(3*0)+(2*4)+(1*4)=116
116 % 10 = 6
So 1171080-44-6 is a valid CAS Registry Number.

1171080-44-6Relevant articles and documents

Convenient preparing methods for 5R-benzyloxyaminopiperidine-2S-formate and oxalate thereof

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Paragraph 0091; 0092, (2018/04/01)

The invention relates to convenient preparing methods for 5R-benzyloxyaminopiperidine-2S-formate and oxalate thereof. L-glutamic acid is adopted as an initial raw material and esterified under the existence of an acidic agent to prepare a compound III; the compound III and 2-halogen-acetate are reacted under an alkaline condition to obtain a compound IV; the compound IV is subjected to intramolecular condensation and cyclization under functions of a strong alkali to obtain piperidin-5-one-2S-formate; the piperidin-5-one-2S-formate and benzylhydroxylamine hydrochloride are subjected to a condensation reaction under the existence of an alkali to obtain 5-benzyloxy imino piperidine-2S-formate; the 5-benzyloxy imino piperidine-2S-formate is subjected to reduction and chiral resolution to obtain the 5R-benzyloxyaminopiperidine-2S-formate oxalate; and the 5R-benzyloxyaminopiperidine-2S-formate oxalate is neutralized to obtain the 5R-benzyloxyaminopiperidine-2S-formate. The invention also provides a method for preparing avibactam. Raw materials of the methods are easily available, the methods are simple to operate, a production process is environmentally friendly, yields are high, and a production cost of the avibactam can be reduced.

A method of recovering and utilizing avibactam intermediate production waste liquid

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Paragraph 0068; 0069, (2018/03/01)

The invention relates to a method of recovering and utilizing avibactam intermediate production waste liquid. The waste liquid produced in a production process of an avibactam intermediate that is 5R-benzyloxyaminopiperidine-2S-formateoxalate IIb is adopted as an initial raw material, and is oxidized to generate 5R-benzyloxyiminopiperidine-2S-formate III; the compound III is subjected to selectivereduction, chiral crystallization resolution and filtration to obtain the solid 5R-benzyloxyaminopiperidine-2S-formateoxalateoxalate IIb; and the obtained filtrate is subjected to the oxidation, reduction and resolution steps again. The compound IIb is neutralized to prepare 5R-benzyloxyaminopiperidine-2S-formate IIa, and the compound IIa or the compound IIb can be utilized to prepare avibactam I. The method is simple and convenient to operate, the atom utilization rate is increased, and the total yield of the compound IIb can be 99.0% or above, thus facilitating cost reduction, facilitatingreduction of avibactam waste liquid and facilitating environment protection.

SODIUM SALT OF (2S, 5R)-6-BENZYLOXY-7-OXO-1,6-DIAZA-BICYCLO [3.2.1 ] OCTANE-2-CARBOXYLIC ACID AND ITS PREPARATION

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Page/Page column 9, (2014/09/29)

Sodium salt of (2S, 5R)-6-benzyloxy-7-oxo-1,6-diaza-bicyclo[3.2.1]octane-2- carboxylic acid and a process for its preparation is disclosed.

PROCESS FOR PREPARING CYCLIC AMINE COMPOUNDS

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Paragraph 0070, (2013/11/05)

A cyclic amine compound having a prescribed configuration can be efficiently prepared by reducing an imine derivative in the presence of a sulfonic acid. Specifically, a cyclic amine compound which is substituted with an amino group and a carboxyl group in which both groups are arranged in the trans configuration can be prepared efficiently.

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