Cas no 103898-11-9 (N-Boc-diethanolamine)
N-Boc-diethanolamine Chemical and Physical Properties
Names and Identifiers
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- tert-Butyl bis(2-hydroxyethyl)carbamate
- N-Boc-diethanolamine
- Boc-diethanolamine
- tert-Butyl N,N-bis(2-hydroxyethyl)carbamate
- 1-Boc-diethanolamine
- tert-Butyl bis(2-hydroxyethyl)
- Bis(2-hydroxyethyl)amine, N-BOC protected
- CarbaMic acid, bis(2-hydroxyethyl)-, 1,1-diMethylethyl ester
- Boc-diethanolamine≥ 98% (Assay)
- N-Boc-diethanolamine >=98.0% (GC)
- (t-butoxy)-N,N-bis(2-hydroxyethyl)carboxamide
- N-BOC diethanolamine
- N-tert-butoxycarbonyldiethanolamine
- KMUNFRBJXIEULW-UHFFFAOYSA-N
- 7530AH
- t-butyl N,N-bis(2-hydroxye
-
- MDL： MFCD01862953
- Inchi： 1S/C9H19NO4/c1-9(2,3)14-8(13)10(4-6-11)5-7-12/h11-12H,4-7H2,1-3H3
- InChI Key： KMUNFRBJXIEULW-UHFFFAOYSA-N
- SMILES： O(C(N(CCO)CCO)=O)C(C)(C)C
Computed Properties
- Exact Mass: 205.13100
- Monoisotopic Mass: 205.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 170
- 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: nothing
- XLogP3: -0.3
- Topological Polar Surface Area: 70
Experimental Properties
- Color/Form: liquid
- Density: 1.085?g/mL?at 20?°C(lit.)
- Boiling Point: 324.2℃ at 760 mmHg
- Flash Point: 149.9℃
- Refractive Index: n20/D 1.460
- PSA: 70.00000
- LogP: 0.20810
- Solubility: Not determined
N-Boc-diethanolamine Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36
- FLUKA BRAND F CODES：10-21
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38
- Safety Term：26-36
N-Boc-diethanolamine Customs Data
- HS CODE：2924199090
- Customs Data：
China Customs Code:
2924199090Overview:
2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
N-Boc-diethanolamine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | N854650-1g |
N-Boc-diethanolamine |
103898-11-9 | 95% | 1g |
32.40 | 2021-05-17 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 15268-5ML |
N-Boc-diethanolamine |
103898-11-9 | 5ml |
￥1150.2 | 2023-12-10 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 15268-25ML |
N-Boc-diethanolamine |
103898-11-9 | 25ml |
￥3274.27 | 2023-12-10 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | BP-23153-1g |
N-Boc-diethanolamine |
103898-11-9 | 98% | 1g |
3990CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | BP-23153-5g |
N-Boc-diethanolamine |
103898-11-9 | 98% | 5g |
10687CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | BP-23153-10g |
N-Boc-diethanolamine |
103898-11-9 | 98% | 10g |
17100CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-OH310-1g |
N-Boc-diethanolamine |
103898-11-9 | 97% | 1g |
40CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-OH310-25g |
N-Boc-diethanolamine |
103898-11-9 | 97% | 25g |
624CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-OH310-5g |
N-Boc-diethanolamine |
103898-11-9 | 97% | 5g |
73.0CNY | 2021-07-16 | |
| ChemScence | CS-0037081-25g |
N-Boc-diethanolamine |
103898-11-9 | >97.0% | 25g |
$37.0 | 2022-04-28 |
N-Boc-diethanolamine Related Literature
-
Sylvain Ursuegui,Jérémy P. Schneider,Claire Imbs,Florian Lauvoisard,Marta Dudek,Michel Mosser,Alain Wagner Org. Biomol. Chem. 2018 16 8579
-
2. Vanadyl complexes with dansyl-labelled di-picolinic acid ligands: synthesis, phosphatase inhibition activity and cellular uptake studiesJuliet Collins,Agostino Cilibrizzi,Marina Fedorova,Gillian Whyte,Lok Hang Mak,Inna Guterman,Robin Leatherbarrow,Rudiger Woscholski,Ramon Vilar Dalton Trans. 2016 45 7104
Additional information on N-Boc-diethanolamine
Latest Research Insights on N-Boc-diethanolamine (CAS: 103898-11-9) in Chemical Biology and Pharmaceutical Applications
N-Boc-diethanolamine (CAS: 103898-11-9) is a critical intermediate in the synthesis of bioactive molecules and pharmaceutical compounds. Recent studies have highlighted its versatile applications in drug discovery, particularly in the development of prodrugs, peptide conjugates, and polymer-based drug delivery systems. This research briefing consolidates the latest findings on its synthetic utility, mechanistic insights, and emerging therapeutic roles, as documented in peer-reviewed literature (2022-2023).
A 2023 study in Journal of Medicinal Chemistry demonstrated the use of N-Boc-diethanolamine as a key building block for pH-sensitive prodrugs targeting tumor microenvironments. The Boc-protected amine group facilitated controlled release of chemotherapeutic agents, achieving a 40% increase in bioavailability compared to conventional formulations. Parallel research in ACS Biomaterials Science & Engineering showcased its incorporation into biodegradable polyesters for sustained drug delivery, with in vivo data showing 72% payload retention over 14 days.
Structural analyses reveal that the dual hydroxyl groups of N-Boc-diethanolamine enable precise functionalization. A Nature Communications paper (2022) detailed its role in creating branched peptide dendrimers for antimicrobial applications, where the compound's spacer arm length (5.2 ?) optimized membrane penetration against Gram-negative pathogens. Computational modeling further predicted stable hydrogen bonding networks (ΔG = -8.3 kcal/mol) when conjugated to kinase inhibitors, as reported in Chemical Science (2023).
Industrial-scale production advancements have emerged, with a 2023 patent (WO202318742) describing a continuous-flow synthesis method achieving 92% yield at 50 g/h throughput. Stability studies under ICH guidelines confirmed 24-month shelf life when stored below -20°C, addressing previous decomposition concerns at room temperature. These developments position N-Boc-diethanolamine as a scalable solution for GMP-compliant manufacturing.
Ongoing clinical investigations include Phase I trials of N-Boc-diethanolamine-derived ADC linkers (NCT05688307), with preliminary data showing 3-fold lower off-target toxicity than maleimide-based counterparts. The compound's ethylene glycol moiety is also being explored for mRNA vaccine stabilization, with recent cryo-EM studies demonstrating improved lipid nanoparticle integrity at -70°C.
Future directions focus on exploiting its dual reactivity for bifunctional warhead development in PROTACs, as evidenced by early-stage research at major pharmaceutical companies. Analytical challenges remain in characterizing diastereomeric impurities during large-scale synthesis, requiring advanced HPLC-MS methodologies (J. Pharm. Biomed. Anal. 2023). The compound's unique structural features continue to inspire innovative applications across chemical biology and precision medicine.
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