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Home> Encyclopedia > Hot Product Listed 1   > 1-Boc-3-piperidone
98977-36-7 structure

1-Boc-3-piperidone

Iupac Name:tert-butyl 3-oxopiperidine-1-carboxylate
CAS No.:98977-36-7
Molecular Weight:199.25
Molecular Formula:C10H17NO3 (isomer)
Names and Identifiers
Synonyms

(tert-butoxycarbonyl)piperidin-3-one 1-(t-butoxycarbonyl)-3-piperidone 1-(tert-butoxycarbonyl)-3-piperidinone 1-(tert-butoxycarbonyl)-3-piperidone 1-(tert-butoxycarbonyl)piperidine-3-one 1,1-dimethylethyl 3-oxo-1-piperidinecarboxylate 1-boc-3-piperidinone 1-boc-3-piperidone, 97% 1-Boc-3-piperidone, 98% 1-n-boc-3-piperidone 1-tert-butoxycarbonyl-3-piperidinone 1-tert-butoxycarbonyl-3-piperidone 1-tert-butoxycarbonylpiperidin-3-one 3-oxo-1-piperidinecarboxylic acid tert-butyl ester 3-oxopiperidine, n-boc protected 3-oxo-piperidine-1-carboxylic acid t-butyl ester 3-oxo-piperidine-1-carboxylic acid tert-butyl ester 3-oxopiperidine-1-carboxylic acid tert-butyl ester A11313 AB0044004 AB1001282 AC1Q1N32 AC-28248 AJ-48406 AKOS004910717 ALBB-006250 AN-1625 AS-12821 B35691 BC208975 boc-3-piperidone CB0059 CB-442 CJ-11420 CM11085 DB-013701 DTXSID40373568 EN002458 EN300-55665 F0001-2328 FC0509 FT-0082689 HE002428 HE118006 I13-0012 JSPY-ST000144 mfcd01631193 MOLPORT-000-001-485 n-(tert-butoxycarbonyl)-3-piperidinone n-boc-3-piperidinone n-boc-3-piperidone n-boc-piperidin-3-one n-boc-piperidine-3-one n-t-butoxycarbonyl-3-ketopiperidine n-t-butoxycarbonyl-3-oxopiperidine n-t-butyloxycarbonyl-3-piperidone RIFXIGDBUBXKEI-UHFFFAOYSA-N RL06122 RP00200 RP25692 RTC-010090 SBB048116 SC-07527 SCHEMBL13160 ST1261385 STK503787 SY001988 t-butyl 3-oxo-1-piperidinecarboxylate t-butyl 3-oxo-1-piperidine-carboxylate t-butyl 3-oxopiperidin-1-carboxylate t-butyl-3-piperidone-1-carboxylate TC-010090 tert-butyl 3-oxopiperadine carboxylate tert-butyl 3-oxo-piperidine-1-carboxylate tert-butyl 3-oxopiperidine-1-carboxylate tert-butyl-3-oxopiperidine-1-carboxylate tert-butyl3-oxopiperidine-1-carboxylate TL8006056 TRA-0191291 ZINC4202422

Inchi
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-7H2,1-3H3
InChkey
RIFXIGDBUBXKEI-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCCC(=O)C1
Properties
Appearance
yellow powder
Density
1.099
Melting Point
35-40℃
Boiling Point
289.8 °C at 760 mmHg
Refractive Index
1.481
Flash Point
>110℃
HS Code
2933990090
Storage temp
Store at?0-5°C
Safety and Handling
Safety Statements
24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:199.25g/mol
  • Molecular Formula:C10H17NO3
  • Compound Is Canonicalized:True
  • Exact Mass:199.121
  • Monoisotopic Mass:199.121
  • Complexity:242
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.6A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAAAAAADETBgAQCCAMABAAI AIAQGAAAAAAAAAAAAAGIAAAAABIAgCAMAAAABgCAAAAUAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-519-88865651
  • Fax:86-519-88865651
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-34226250
  • Fax:86-21-34226250
  • Tel:86-755-33239182
  • Fax:86-755-33233381
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  • Fax:86-21-61294103
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