- Preparation of 3-pyrrolidone derivatives, Korea, , ,
Cas no 96-42-4 (pyrrolidin-3-one)
pyrrolidin-3-one structure
Product Name:pyrrolidin-3-one
CAS No:96-42-4
MF:C4H7NO
MW:85.1044809818268
MDL:MFCD02183811
CID:34856
PubChem ID:233208
Update Time:2024-10-25
pyrrolidin-3-one Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyrrolidinone
- Pyrrolidin-3-one
- 3-Pyrrolidinone HCl
- 3-pyrrolidone
- 3-Pyrrolidone HCl
- 3-Oxo-pyrrolidin
- 3-Oxopyrrolidine
- Pyrrolidin-3-on
- NSC 31423
- NSC31423
- DB-006522
- AT2P75G2H5
- BCP23105
- MFCD07368170
- 96-42-4
- Q223111
- EN300-93819
- GS-6195
- DTXSID50283427
- Q-103256
- NSC-31423
- QGKLPGKXAVVPOJ-UHFFFAOYSA-N
- CS-W004335
- AKOS015855381
- 3-pyrrolidinone, AldrichCPR
- pyrrolidin-3-one
-
- MDL： MFCD02183811
- Inchi： 1S/C4H7NO/c6-4-1-2-5-3-4/h5H,1-3H2
- InChI Key： QGKLPGKXAVVPOJ-UHFFFAOYSA-N
- SMILES： O=C1CCNC1
Computed Properties
- Exact Mass: 85.05280
- Monoisotopic Mass: 85.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 69.9
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: -0.7
- Topological Polar Surface Area: 29.1A^2
Experimental Properties
- Density: 1.047
- Boiling Point: 156 °C at 760 mmHg
- Flash Point: 79.9 °C
- Refractive Index: 1.452
- PSA: 29.10000
- LogP: -0.12240
pyrrolidin-3-one Customs Data
- HS CODE：2933990090
- Customs Data：
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
pyrrolidin-3-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM197743-100g |
3-Pyrrolidinone |
96-42-4 | 95% | 100g |
$449 | 2021-08-05 | |
| Alichem | A109006705-25g |
Pyrrolidin-3-one |
96-42-4 | 95% | 25g |
$156.80 | 2023-08-31 | |
| Alichem | A109006705-100g |
Pyrrolidin-3-one |
96-42-4 | 95% | 100g |
$484.80 | 2023-08-31 | |
| Chemenu | CM197743-100g |
3-Pyrrolidinone |
96-42-4 | 95% | 100g |
$329 | 2024-07-18 | |
| Chemenu | CM197743-5g |
3-Pyrrolidinone |
96-42-4 | 95% | 5g |
$*** | 2023-05-29 | |
| Chemenu | CM197743-10g |
3-Pyrrolidinone |
96-42-4 | 95% | 10g |
$*** | 2023-05-29 | |
| Chemenu | CM197743-25g |
3-Pyrrolidinone |
96-42-4 | 95% | 25g |
$*** | 2023-05-29 | |
| eNovation Chemicals LLC | D382544-1g |
3-Pyrrolidinone HCl salt |
96-42-4 | 98% | 1g |
$195 | 2024-05-24 | |
| eNovation Chemicals LLC | D382544-5g |
3-Pyrrolidinone HCl salt |
96-42-4 | 98% | 5g |
$245 | 2024-05-24 | |
| Enamine | EN300-93819-0.05g |
pyrrolidin-3-one |
96-42-4 | 95% | 0.05g |
$20.0 | 2024-05-21 |
pyrrolidin-3-one Production Method
Production Method 1
Production Method 2
Reaction Conditions
1.1 Reagents: Pyridoxal 5′-phosphate , Pyruvic acid Catalysts: β-Alanine:pyruvate aminotransferase Solvents: Water ; pH 8, 37 °C
Reference
- A protection strategy substantially enhances rate and enantioselectivity in ω-transaminase-catalyzed kinetic resolutionsHoehne, Matthias; Robins, Karen; Bornscheuer, Uwe T., Advanced Synthesis & Catalysis, 2008, 350(6), 807-812
Production Method 3
Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Acetonitrile , Water
1.2 Reagents: Hydrogen peroxide Catalysts: Tungstate (W10O324-), sodium (1:4) Solvents: Water
1.2 Reagents: Hydrogen peroxide Catalysts: Tungstate (W10O324-), sodium (1:4) Solvents: Water
Reference
- Oxyfunctionalization of the Remote C-H Bonds of Aliphatic Amines by Decatungstate PhotocatalysisSchultz, Danielle M. ; Levesque, Francois; Di Rocco, Daniel A.; Reibarkh, Mikhail; Ji, Yining; et al, Angewandte Chemie, 2017, 56(48), 15274-15278
Production Method 4
Reaction Conditions
Reference
- Novel steroid mimics directed towards the estradiol skeletonBridgeman, Eve; Cavill, Julie L.; Schofield, Daniel J.; Wilkins, Derek S.; Tomkinson, Nicholas C. O., Tetrahedron Letters, 2005, 46(49), 8521-8524
pyrrolidin-3-one Raw materials
pyrrolidin-3-one Preparation Products
pyrrolidin-3-one Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:96-42-4)pyrrolidin-3-one
Order Number:A11204
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 21:24
Price ($):247.0
Email:[email protected]
pyrrolidin-3-one Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
-
David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:96-42-4)pyrrolidin-3-one
Purity:99%
Quantity:100g
Price ($):247.0