Cas no 92235-39-7 (N-Boc L-Orinithine Lactam)

N-Boc L-Orinithine Lactam structure
N-Boc L-Orinithine Lactam structure
Product Name:N-Boc L-Orinithine Lactam
CAS No:92235-39-7
MF:C10H18N2O3
MW:214.261522769928
MDL:MFCD08166304
CID:810223
PubChem ID:124787
Update Time:2024-10-26

N-Boc L-Orinithine Lactam Chemical and Physical Properties

Names and Identifiers

    • (S)-3-(Boc-amino)-2-piperidone
    • (S)-tert-Butyl (2-oxopiperidin-3-yl)carbamate
    • N-Boc L-Orinithine Lactam
    • (S)-3-Boc-amino-2-piperidone
    • (S)-3-Boc-aminopiperidin-2-one
    • (S)-tert-Butyl 2-oxopiperidin-3-ylcarbamate
    • Carbamic acid,N-[(3S)-2-oxo-3-piperidinyl]-, 1,1-dimethylethyl ester
    • tert-Butyl (S)-2-oxopiperidin-3-ylcarbamate
    • tert-butyl N-[(3S)-2-oxopiperidin-3-yl]carbamate
    • 3-tert-Butyloxycarbonylamino-2-piperidone
    • Carbamic acid, [(3S)-2-oxo-3-piperidinyl]-, 1,1-dimethylethyl ester
    • t-Boc-amino-2-piperidone
    • (3S)-2-Oxo-3-(Boc-amino)piperidine
    • 3-t-Butyloxycarbonyl-amino-2-piperidone
    • PubCh
    • 1,1-Dimethylethyl N-[(3S)-2-oxo-3-piperidinyl]carbamate (ACI)
    • Carbamic acid, (2-oxo-3-piperidinyl)-, 1,1-dimethylethyl ester, (S)- (ZCI)
    • Carbamic acid, [(3S)-2-oxo-3-piperidinyl]-, 1,1-dimethylethyl ester (9CI)
    • 1,1-Dimethylethyl [(S)-2-oxo-3-piperidinyl]carbamate
    • tert-Butyl (S)-N-[2-oxo-3-piperidyl]carbamate
    • MFCD08166304
    • SCHEMBL2462209
    • Q-103079
    • EN300-1693201
    • DTXSID10238933
    • TERT-BUTYL (S)-2-OXOPIPERIDIN-3-YLCABAMATE
    • (S)-tert-Butyl(2-oxopiperidin-3-yl)carbamate
    • 92235-39-7
    • SSBSATYPIISWFD-ZETCQYMHSA-N
    • DTXCID60161424
    • AKOS015918079
    • AC-29437
    • GS-6339
    • CS-B1207
    • (S)-tert-butyl-2-oxopiperidin-3-ylcarbamate
    • VT1456
    • tert-butyl (S)-(2-oxopiperidin-3-yl)carbamate
    • tert-butyl N-[(3S)-2-oxo-3-piperidyl]carbamate
    • (2-Oxo-piperidin-3-yl)-carbamic acid tert-butyl ester
    • A19575
    • MDL: MFCD08166304
    • Inchi: 1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1
    • InChI Key: SSBSATYPIISWFD-ZETCQYMHSA-N
    • SMILES: N([C@H]1CCCNC1=O)C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 214.13200
  • Monoisotopic Mass: 214.13174244g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 258
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 67.4
  • XLogP3: 0.8

Experimental Properties

  • Boiling Point: 405.6°C at 760 mmHg
  • Flash Point: 199.1℃
  • PSA: 67.43000
  • LogP: 1.50940

N-Boc L-Orinithine Lactam Security Information

N-Boc L-Orinithine Lactam Customs Data

  • HS CODE:2933790090
  • Customs Data:

    China Customs Code:

    2933790090

    Overview:

    2933790090 Other lactams. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:9.0% general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

N-Boc L-Orinithine Lactam Pricemore >>

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N-Boc L-Orinithine Lactam Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Chlorotrimethylsilane Solvents: Methanol ;  overnight, reflux; reflux → 0 °C
1.2 Reagents: Sodium carbonate Solvents: Methanol ;  3.5 h, rt
1.3 10 min, rt
Reference
Preparation of optically-active octahydropyrrolo[3,2-b]pyridin-2-one derivatives and their intermediates
, Japan, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  15 min, 25 °C
1.2 Reagents: Alumina Solvents: Toluene ;  3 h, reflux
1.3 Reagents: Triethylamine Solvents: 1,4-Dioxane ,  Water ;  24 h, 0 °C → rt
1.4 Reagents: Ammonium chloride Solvents: Water ;  rt
Reference
First Multigram Scale-Up and Synthesis of Novel Valerolactam- Benzimidazole Hybrid Anthelmintic
Colobbio, Maximiliano ; Duarte, Gerardo; Melian, Maria Elisa; Silvera, Mauricio; Teixeira, Ramiro; et al, Letters in Drug Design & Discovery, 2023, 20(2), 225-231

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Acetic acid ,  Methanol
1.2 Reagents: Sodium carbonate Solvents: Dimethylformamide
Reference
Dopamine receptor modulation by conformationally constrained analogs of Pro-Leu-Gly-NH2
Yu, Kuo Long; Rajakumar, G.; Srivastava, Lalit K.; Mishra, Ram K.; Johnson, Rodney L., Journal of Medicinal Chemistry, 1988, 31(7), 1430-6

Production Method 4

Reaction Conditions
1.1 Reagents: 4-Methylmorpholine ,  Potassium hydroxide ,  Triphosgene Solvents: Acetonitrile ,  Water ;  20 °C
1.2 Reagents: Ammonium chloride Solvents: Water ;  15 s, 20 °C
Reference
Rapid and Mild Lactamization Using Highly Electrophilic Triphosgene in a Microflow Reactor
Fuse, Shinichiro ; Komuro, Keiji ; Otake, Yuma ; Masui, Hisashi ; Nakamura, Hiroyuki, Chemistry - A European Journal, 2021, 27(27), 7525-7532

Production Method 5

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Methanol ;  45 min, rt; 4 h, rt
1.2 Reagents: Sodium methoxide Solvents: Methanol ;  4 h, rt
1.3 Reagents: Triethylamine Solvents: Dichloromethane ;  60 h, 20 - 25 °C
Reference
Preparation of heterocyclic substituted aminoazacycles useful as central nervous system agents
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium (carbon-supported) Solvents: Methanol ;  15 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Ethyl acetate ;  3 d, rt
Reference
Asymmetric synthesis of (3S,9S)-ciliatamide C
, China, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium bicarbonate ,  BOP reagent Solvents: Dimethylformamide ;  12 h, rt
Reference
Ribosome-mediated incorporation of peptides and peptidomimetics during cell-free translation
, World Intellectual Property Organization, , ,

Production Method 8

Reaction Conditions
Reference
Studies directed toward the synthesis of naturally occurring acyltetramic acids. 2. Preparation of the macrocyclic subunit of ikarugamycin
Boeckman, Robert K. Jr.; Perni, Robert B., Journal of Organic Chemistry, 1986, 51(26), 5486-9

Production Method 9

Reaction Conditions
1.1 Reagents: Diphenylsilane ,  4-(Dimethylamino)pyridine ,  Diisopropylethylamine Solvents: Acetonitrile ;  42 h, 80 °C
Reference
Diphenylsilane as a coupling reagent for amide bond formation
Sayes, Morgane; Charette, Andre B., Green Chemistry, 2017, 19(21), 5060-5064

Production Method 10

Reaction Conditions
1.1 Reagents: Ethanol, 2,2,2-trifluoro-, 1,1′,1′′-triester with boric acid (H3BO3) Solvents: Acetonitrile ;  15 h, 80 °C
Reference
Direct Synthesis of Amides from Carboxylic Acids and Amines Using B(OCH2CF3)3
Lanigan, Rachel M.; Starkov, Pavel; Sheppard, Tom D., Journal of Organic Chemistry, 2013, 78(9), 4512-4523

Production Method 11

Reaction Conditions
1.1 Reagents: Sodium bicarbonate Solvents: Ethyl acetate
Reference
A flexible approach for the synthesis of selectively labelled L-arginine
Hamilton, Deborah J.; Sutherland, Andrew, Tetrahedron Letters, 2004, 45(29), 5739-5741

Production Method 12

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dichloromethane ;  16 h, rt
1.2 Reagents: Diethyl ether ;  rt
Reference
Indazolecarboxamide derivatives as p38 inhibitors and their preparation and methods of use thereof
, World Intellectual Property Organization, , ,

Production Method 13

Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Methanol ;  4 h, reflux
1.2 Reagents: Ammonium chloride ;  overnight, rt
1.3 Reagents: Sodium hydroxide Solvents: Tetrahydrofuran ,  Water ;  overnight, rt
Reference
Preparation and reactivity of aminoacyl pyroglutamates. Facile synthesis of 10-membered-ring cyclic dipeptides derived from 1,4-diaminobutyric and glutamic acids
Chulin, A. N.; Rodionov, I. L.; Baidakova, L. K.; Rodionova, L. N.; Balashova, T. A.; et al, Journal of Peptide Science, 2005, 11(3), 175-186

Production Method 14

Reaction Conditions
1.1 Reagents: Alumina Solvents: Toluene ;  reflux
1.2 -
Reference
Synthesis and Anthelmintic Evaluation of Novel Valerolactam-Benzimidazole Hybrids
Munguia, Beatriz; Mendina, Pablo; Espinosa, Romina; Lanz, Andrea; Saldana, Jenny; et al, Letters in Drug Design & Discovery, 2013, 10(10), 1007-1014

Production Method 15

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Methanol ;  1 h, rt
1.2 Solvents: Methanol ;  18 h, rt
Reference
Preparation of heterocyclic amides, in particular azolanes and pyridines as Phosphodiesterase IV (PDE4) inhibitors for the treatment of inflammatory and allergic disorders
, World Intellectual Property Organization, , ,

N-Boc L-Orinithine Lactam Raw materials

N-Boc L-Orinithine Lactam Preparation Products

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