Cas no 114214-69-6 (1-Boc-3-(Hydroxymethyl)pyrrolidine)
1-Boc-3-(Hydroxymethyl)pyrrolidine Chemical and Physical Properties
Names and Identifiers
-
- 1-Boc-3-(Hydroxymethyl)pyrrolidine
- 3-HYDROXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- 3-HYDROXYMETHYL-1-BOC-PYRROLIDINE
- TERT-BUTYL 3-(HYDROXYMETHYL)PYRROLIDINE-1-CARBOXYLATE
- N-Boc-3-(hydroxymethyl)pyrrolidine
- 1-BOC-3-(METHANESULFONYLMETHYL) PYRROLIDINE
- 3-Hydroxymethyl-pyrrolidine-1-carboxylic acid ter-butyl-ester
- N-Boc-3-(hydroxymethyl)pyrrolidine-1-carboxylate
- 1-Boc-3-hydroxymethylpyrrolidine
- N-Boc-DL-beta-prolinol
- 1-(tert-Butoxycarbonyl)-3-pyrrolidinemethanol
- 3-hydroxymethylpyrrolidine-1-carboxylic acid tert- butyl ester
- 1-Boc-3-pyrrolidinemethanol
- 3-(Hydroxymethyl)pyrrolidine-1-carboxylic Acid tert-But
- tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate(SALTDATA: FREE)
- 3-(Hydroxymethyl)pyrrolidine-1-carboxylic Acid tert-Butyl Ester
- 1-Boc-3-(hydroxyMethyl)py...
- N-BOC--3-hydrozyMethyl-pyrroidine
- 1-BOC-3-Hydroxymethyl-1H-pyrrolidine
- 1-tert-Butoxycarbonylpyrrolidine-3-methanol
- N-Boc-DL-^b-prolinol, 97+%
- N-Boc-DL-beta-prolinol, 97+%
- 1-(tert-butoxycarbonyl)-3-(hydroxymethyl)pyrrolidine
- tert-butyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate
- Z976727100
- t-butyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate
- J-504350
- SY023073
- PB23288
- BCP27049
- 1-t-butoxycarbonyl-3-hydroxymethylpyrrolidine
- 114214-69-6
- 1,1-dimethylethyl 3-(hydroxymethyl)-1-pyrrolidine-carboxylate
- 3-hydroxymethyl-pyrrolidin-1-carboxylic acid tert-butyl ester
- DTXSID60412261
- SCHEMBL621267
- (S)-1-Boc-3-(hydroxymethyl)pyrrolidine
- 1-t-butoxycarbonylpyrrolidine-3-methanol
- MFCD02179040
- CS-W009119
- AM20080086
- N-tert-butoxycarbonyl-3-(hydroxymethyl)pyrrolidine
- tert-Butyl-3-(hydroxymethyl)pyrrolidin-1-carboxylat
- 1-t-butoxycarbonylpyrrolidin-3-ylmethanol
- N-Boc-3-hydroxymethylpyrrolidine
- SY020767
- 3-(hydroxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
- SY004169
- AC-3511
- 1,1-dimethylethyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate
- FT-0650091
- EN300-61991
- FT-0647376
- 3-hydroxyMethylpyrrolidine-1-carboxylic acid tert- butyl ester
- Tert-butyl3-(hydroxymethyl)pyrrolidine-1-carboxylate
- BCP22293
- HY-60218
- 1-PYRROLIDINECARBOXYLIC ACID, 3-(HYDROXYMETHYL)-, 1,1-DIMETHYLETHYL ESTER
- (3R)-1-Boc-3-(hydroxymethyl)pyrrolidine
- BP-13175
- PB30747
- tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate;1-Boc-3-(hydroxymethyl)pyrrolidine
- N-tert-butoxycarbonyl-3-hydroxymethylpyrrolidine
- FT-0649560
- (R)-1-BOC-3-PYRROLIDINEMETHANOL
- 3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester, AldrichCPR
- B4249
- HKIGXXRMJFUUKV-UHFFFAOYSA-N
- AKOS005264112
- PB33659
- tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylateN-Boc-3-hydroxymethylpyrrolidine
- DB-027368
-
- MDL: MFCD02179040
- Inchi: 1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3
- InChI Key: HKIGXXRMJFUUKV-UHFFFAOYSA-N
- SMILES: O(C(C)(C)C)C(N1CCC(CO)C1)=O
Computed Properties
- Exact Mass: 201.13600
- Monoisotopic Mass: 201.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 210
- 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
- Topological Polar Surface Area: 49.8A^2
- XLogP3: 0.8
Experimental Properties
- Color/Form: Pale-yellow to Yellow-brown Liquid
- Density: 1.089
- Melting Point: No data available
- Boiling Point: 285-291 °C
- Flash Point: 128.9℃
- Refractive Index: 1.4680 to 1.4720
- PSA: 49.77000
- LogP: 1.17360
1-Boc-3-(Hydroxymethyl)pyrrolidine Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Danger
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:UN 2811 6.1 / PGIII
- WGK Germany:3
- Hazard Category Code: 25-50
- Safety Instruction: S24/25
-
Hazardous Material Identification:
- Safety Term:S24/25
- HazardClass:IRRITANT
- PackingGroup:Ⅲ
- Storage Condition:Room temperature
1-Boc-3-(Hydroxymethyl)pyrrolidine 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%
1-Boc-3-(Hydroxymethyl)pyrrolidine Pricemore >>
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| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B821952-5g |
1-Boc-3-hydroxymethylpyrrolidine |
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1-Boc-3-(Hydroxymethyl)pyrrolidine Suppliers
1-Boc-3-(Hydroxymethyl)pyrrolidine Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
Additional information on 1-Boc-3-(Hydroxymethyl)pyrrolidine
Introduction to 1-Boc-3-(Hydroxymethyl)pyrrolidine (CAS No. 114214-69-6)
1-Boc-3-(Hydroxymethyl)pyrrolidine (CAS No. 114214-69-6) is a versatile organic compound with significant applications in the fields of pharmaceuticals, biotechnology, and organic synthesis. This compound is a derivative of pyrrolidine, a five-membered nitrogen-containing ring, which serves as a foundational structure for numerous bioactive molecules. The Boc (tert-butoxycarbonyl) group is a well-known protecting group in peptide synthesis, and its presence in this compound highlights its utility in controlling reactivity during complex chemical transformations.
The hydroxymethyl substituent attached to the pyrrolidine ring introduces hydrophilic properties, making this compound suitable for applications requiring both lipophilic and hydrophilic interactions. Recent studies have demonstrated that 1-Boc-3-(Hydroxymethyl)pyrrolidine plays a critical role in the synthesis of bioactive compounds, including peptide mimetics and enzyme inhibitors. Its unique structure allows for precise control over stereochemistry and functional group compatibility, making it an invaluable tool in modern medicinal chemistry.
From a synthetic perspective, 1-Boc-3-(Hydroxymethyl)pyrrolidine is typically prepared through a multi-step process involving the selective protection of amino groups and subsequent functionalization. The use of the Boc group ensures that the amine remains inert during intermediate steps, allowing for the introduction of other functional groups without interference. This approach has been widely adopted in the synthesis of complex molecules, including those with intricate stereochemical requirements.
Recent advancements in catalytic asymmetric synthesis have further expanded the utility of 1-Boc-3-(Hydroxymethyl)pyrrolidine. Researchers have employed chiral catalysts to achieve high enantioselectivity in its preparation, paving the way for the development of enantiopure compounds with potential therapeutic applications. These developments underscore the importance of this compound as a key intermediate in drug discovery pipelines.
In terms of applications, 1-Boc-3-(Hydroxymethyl)pyrrolidine has been extensively utilized in the design and synthesis of peptide-based drugs. Its ability to serve as a rigid scaffold enables the creation of molecules with enhanced bioavailability and target specificity. Moreover, its hydroxymethyl group provides sites for further functionalization, allowing chemists to introduce additional bioactive moieties as needed.
Another emerging application of 1-Boc-3-(Hydroxymethyl)pyrrolidine lies in its use as a building block for macrocyclic compounds. Macrocycles are increasingly being explored for their potential as drug delivery agents and enzyme inhibitors due to their unique structural properties. The incorporation of hydroxymethyl functionality into these frameworks enhances their ability to interact with biological targets, making them promising candidates for future therapeutics.
From an analytical standpoint, 1-Boc-3-(Hydroxymethyl)pyrrolidine has been thoroughly characterized using advanced spectroscopic techniques such as NMR and mass spectrometry. These studies have provided detailed insights into its molecular structure and reactivity patterns, further solidifying its role as a reliable synthetic intermediate.
In conclusion, 1-Boc-3-(Hydroxymethyl)pyrrolidine (CAS No. 114214-69-6) stands out as a pivotal compound in contemporary organic synthesis and drug discovery efforts. Its unique combination of structural features and functional group compatibility makes it an indispensable tool for researchers across various disciplines. As ongoing research continues to uncover new applications and synthetic strategies involving this compound, its significance in the field is expected to grow further.
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