Cas no 1260852-42-3 (tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate)
tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
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- tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate
- 1-Boc-3,3-difluoro-4-(hydroxymethyl)pyrrolidine
- 1260852-42-3
- MFCD34566933
- SY097947
- EN300-6197461
- (R)-(1-Boc-4,4-difluoro-3-pyrrolidinyl)methanol
- Racemic-tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate
- 1-Pyrrolidinecarboxylic acid, 3,3-difluoro-4-(hydroxymethyl)-, 1,1-dimethylethyl ester
- AS-33991
- racemic-tert-butyl-3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate
- CS-0048352
- C10H17F2NO3
- TERT-BUTYL3,3-DIFLUORO-4-(HYDROXYMETHYL)PYRROLIDINE-1-CARBOXYLATE
- SY344426
- DB-233433
- 1-tert-butyloxycarbonyl-3,3-difluoro-4-hydroxymethylpyrrolidine
- MFCD12755195
- SCHEMBL17499881
- SB11650
- 2382120-13-8
- AKOS025243151
-
- MDL: MFCD12755195
- Inchi: 1S/C10H17F2NO3/c1-9(2,3)16-8(15)13-4-7(5-14)10(11,12)6-13/h7,14H,4-6H2,1-3H3
- InChI Key: OEMRLSZFXVVDLS-UHFFFAOYSA-N
- SMILES: FC1(CN(C(=O)OC(C)(C)C)CC1CO)F
Computed Properties
- Exact Mass: 237.11764973g/mol
- Monoisotopic Mass: 237.11764973g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 276
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 49.8?2
tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM106322-100mg |
tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate |
1260852-42-3 | 95%+ | 100mg |
$341 | 2021-08-06 | |
| Chemenu | CM106322-250mg |
tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate |
1260852-42-3 | 95%+ | 250mg |
$569 | 2021-08-06 | |
| Chemenu | CM106322-1g |
tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate |
1260852-42-3 | 95%+ | 1g |
$1705 | 2021-08-06 | |
| Alichem | A109008588-100mg |
tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate |
1260852-42-3 | 95% | 100mg |
$610.05 | 2023-09-03 | |
| Alichem | A109008588-250mg |
tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate |
1260852-42-3 | 95% | 250mg |
$1013.70 | 2023-09-03 | |
| Alichem | A109008588-1g |
tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate |
1260852-42-3 | 95% | 1g |
$2278.50 | 2023-09-03 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y10895-1g |
tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate |
1260852-42-3 | 95% | 1g |
¥16509.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y10895-250mg |
tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate |
1260852-42-3 | 95% | 250mg |
¥5259.0 | 2024-07-18 | |
| TRC | B947638-10mg |
Tert-Butyl 3,3-Difluoro-4-(Hydroxymethyl)Pyrrolidine-1-Carboxylate |
1260852-42-3 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B947638-50mg |
Tert-Butyl 3,3-Difluoro-4-(Hydroxymethyl)Pyrrolidine-1-Carboxylate |
1260852-42-3 | 50mg |
$ 65.00 | 2022-06-06 |
tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
Additional information on tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate
tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate: A Comprehensive Overview
tert-Butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate (CAS No: 1260852-42-3) is a compound of significant interest in the field of organic chemistry and pharmaceutical research. This compound, with its unique structure and functional groups, has garnered attention for its potential applications in drug development and material science. In this article, we will delve into the properties, synthesis, applications, and recent advancements related to this compound.
The molecular structure of tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate consists of a pyrrolidine ring substituted with a hydroxymethyl group at position 4 and two fluorine atoms at position 3. The tert-butyl group attached to the carboxylic acid moiety adds bulk to the molecule, potentially influencing its pharmacokinetic properties. This combination of functional groups makes the compound versatile for various chemical transformations.
Recent studies have highlighted the importance of fluorinated compounds in medicinal chemistry due to their unique electronic properties and bioavailability profiles. The presence of fluorine atoms in tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate contributes to its stability and lipophilicity, making it a promising candidate for drug delivery systems. Researchers have explored its potential as a prodrug or intermediate in the synthesis of bioactive molecules.
The synthesis of tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate involves multi-step organic reactions, including nucleophilic substitutions and ring-closing reactions. The use of transition metal catalysts has been reported to enhance the efficiency of these reactions, leading to higher yields and better purity. These advancements in synthetic methodology have made the compound more accessible for further research.
In terms of applications, tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate has shown promise in the development of antiviral agents due to its ability to inhibit viral replication mechanisms. Additionally, its unique structure has been exploited in the design of polymerizable monomers for advanced materials with tailored mechanical properties.
The latest research on this compound has focused on its role in asymmetric synthesis and catalysis. Scientists have employed chiral catalysts to achieve enantioselective synthesis of this compound, paving the way for its use in chiral resolution studies. Furthermore, computational chemistry techniques have been utilized to predict its interaction with biological targets, providing insights into its therapeutic potential.
In conclusion, tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate is a multifaceted compound with diverse applications across various fields. Its unique chemical properties and recent advancements in synthesis and application underscore its importance in modern chemistry research.
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