Cas no 84163-42-8 (1-Formylpiperidine-4-carboxylic Acid)

1-Formylpiperidine-4-carboxylic Acid structure
84163-42-8 structure
Product Name:1-Formylpiperidine-4-carboxylic Acid
CAS No:84163-42-8
MF:C7H11NO3
MW:157.167142152786
MDL:MFCD03425206
CID:720265
PubChem ID:125307603
Update Time:2024-10-26

1-Formylpiperidine-4-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 1-FORMYL-PIPERIDINE-4-CARBOXYLIC ACID
    • 1-Formyl-4-piperidinecarboxylic Acid
    • 1-formylpiperidine-4-carboxylic acid
    • 4-Piperidinecarboxylicacid, 1-formyl-
    • 1-Formylisonipecotic Acid
    • 1-Formyl-piperidin-4-carbonsaeure
    • n-formylisonipecotic acid
    • 4-PIPERIDINECARBOXYLIC ACID, 1-FORMYL-
    • 1-Formyl-piperidine-4-carboxylic ac
    • 1-FORMYL-PIPERIDINE-4-CARBOXYLICACID
    • N-formyl isonipecotic acid
    • IZNTWTMLHCGAJU-UHFFFAOYSA-N
    • BCP12736
    • SBB053321
    • 0374AF
    • 1-Formyl-4-piperidinecarboxylic acid (ACI)
    • Isonipecotic acid, 1-formyl- (6CI)
    • 1-formyl-piperidine-4-carboxylic acid, AldrichCPR
    • AKOS010054620
    • PB20033
    • CS-W010915
    • MFCD03425206
    • F0749
    • SY050568
    • 4-PIPERIDINECARBOXYLIC ACID, 1-FORMYL-, (+)-
    • AS-37801
    • 84163-42-8
    • SCHEMBL1712428
    • DTXSID00374697
    • 67659-33-0
    • DB-076001
    • 1-Formylpiperidine-4-carboxylic Acid
    • MDL: MFCD03425206
    • Inchi: 1S/C7H11NO3/c9-5-8-3-1-6(2-4-8)7(10)11/h5-6H,1-4H2,(H,10,11)
    • InChI Key: IZNTWTMLHCGAJU-UHFFFAOYSA-N
    • SMILES: O=CN1CCC(C(O)=O)CC1

Computed Properties

  • Exact Mass: 157.07400
  • Monoisotopic Mass: 157.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 161
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 57.6
  • XLogP3: -0.2

Experimental Properties

  • Color/Form: Solid
  • Density: 1.350±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 136.0 to 140.0 deg-C
  • Boiling Point: 377.8°C at 760 mmHg
  • Flash Point: 182.3oC
  • Refractive Index: 1.591
  • Solubility: Dissolution (36 g/l) (25 o C),
  • PSA: 57.61000
  • LogP: 0.51320
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

1-Formylpiperidine-4-carboxylic Acid Security Information

1-Formylpiperidine-4-carboxylic Acid Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-Formylpiperidine-4-carboxylic Acid Pricemore >>

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1-Formylpiperidine-4-carboxylic Acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Chloride Solvents: Formic acid
Reference
Synthesis of 4-aminopiperidine
Yakhontov, L. N.; Yatsenko, S. V.; Rubtsov, M. V., Zhurnal Obshchei Khimii, 1958, 28, 3115-19

Production Method 2

Reaction Conditions
1.1 Reagents: Acetic anhydride ;  1 h, 65 °C; 16 h, rt
Reference
Reformulating a Pharmacophore for 5-HT2A Serotonin Receptor Antagonists
Younkin, Jason; Gaitonde, Supriya A.; Ellaithy, Amr; Vekariya, Rakesh; Baki, Lia; et al, ACS Chemical Neuroscience, 2016, 7(9), 1292-1299

Production Method 3

Reaction Conditions
1.1 Solvents: Acetic anhydride ;  1 h, rt → 60 °C; 60 °C → 0 °C
1.2 0 - 5 °C; 14 h, 0 - 5 °C
Reference
A simple and efficient method for the synthesis of 1,2-benzisoxazoles. A series of its potent acetylcholinesterase inhibitors
Basappa; Mantelingu, K.; Sadashiva, M. P.; Rangappa, K. S., Indian Journal of Chemistry, 2004, (9), 1954-1957

Production Method 4

Reaction Conditions
1.1 Reagents: Acetic anhydride Solvents: Chloroform ;  rt; 15 min, rt; rt → 5 °C
1.2 0 - 5 °C; 5 °C → 30 °C; 4 h, 30 °C
1.3 Reagents: Sodium bicarbonate Solvents: Water ;  30 min, 30 °C
Reference
Design and Straightforward Synthesis of Novel N-substituted 6-Fluoro-3-(piperidin-4-yl)-1,2-benzoxazole Derivatives and Their Antibacterial Activity
Garlapati, Krishna Kanth; Ganta, Ravi Kumar; Kumar, K. Siva; Srinivasu, N., Russian Journal of Organic Chemistry, 2023, 59(1), 190-195

Production Method 5

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: 2,4,6-Trimethylpyridine ,  Tricyclohexylstannyl 1,1,1-trifluoromethanesulfonate Solvents: Sulfolane ;  24 h, 4 bar, 453 K
Reference
Tin-catalyzed reductive coupling of amines with CO2 and H2
Paparakis, Alexandros; Turnell-Ritson, Roland C.; Sapsford, Joshua S.; Ashley, Andrew E.; Hulla, Martin, Catalysis Science & Technology, 2023, 13(3), 637-644

Production Method 6

Reaction Conditions
1.1 Reagents: Acetic anhydride ;  13 - 14 h, 10 - 15 °C
1.2 Solvents: Isopropanol ;  2 h, 0 - 5 °C
Reference
Synthesis of related substances of antipsychotic drug Risperidone
Gupta, Poonam, Pharma Innovation, 2021, 10(11), 99-104

Production Method 7

Reaction Conditions
1.1 Reagents: Acetic anhydride Solvents: Isopropanol ;  14 h, 0 - 5 °C
Reference
Synthesis of 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole amino acid derivatives and anti-DNA damaging activity
Ranganatha, S. R.; Vinaya, K.; Chandrappa, S.; Kumar, C. S. Ananda; Prasad, B. Benaka; et al, International Journal of Drug Design and Discovery, 2010, 1(1), 57-64

Production Method 8

Reaction Conditions
Reference
Synthesis and neuroleptic activity of 3-(1-substituted-4-piperidinyl)-1,2-benzisoxazoles
Strupczewski, Joseph T.; Allen, Richard C.; Gardner, Beth Ann; Schmid, Blaine L.; Stache, Ulrich; et al, Journal of Medicinal Chemistry, 1985, 28(6), 761-9

1-Formylpiperidine-4-carboxylic Acid Raw materials

1-Formylpiperidine-4-carboxylic Acid Preparation Products

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