tert-Butyl N-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]carbamate - ≥95% , CAS No.1850305-80-4

CAS: 1850305-80-4 Cat. No.: T587815 Molecular Weight: 285.19 EC Number: 832-324-0 PubChem CID: 74788500

GRADE & PURITY ≥95%

Synonyms

W19426 | AZC30580 | AKOS037644962 | EN300-1654194 | TERT-BUTYL N-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PROPYL]CARBAMATE | Carbamic acid, N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-, 1,1-dimethylethyl ester | TERT-BUTYL (3-(4,4,5,5

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

W19426 | AZC30580 | AKOS037644962 | EN300-1654194 | TERT-BUTYL N-[3-(4, 4, 5, 5-TETRAMETHYL-1, 3, 2-DIOXABOROLAN-2-YL)PROPYL]CARBAMATE | Carbamic acid, N-[3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)propyl]-, 1, 1-dimethylethyl ester | TERT-BUTYL (3-(4, 4, 5, 5

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)CCCNC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]carbamate
• InChIKey: MQRYONXVKZQEAC-UHFFFAOYSA-N
• INCHI: 1S/C14H28BNO4/c1-12(2,3)18-11(17)16-10-8-9-15-19-13(4,5)14(6,7)20-15/h8-10H2,1-7H3,(H,16,17)
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)CCCNC(=O)OC(C)(C)C
• PubChem CID: 74788500
• Molecular Weight: 285.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Boronic acid derivatives
      • Subclass Boronic acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Boronic acid derivatives
• Subclass: Boronic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acid esters
• Alternative Parents: Dioxaborolanes Carbamate esters Oxacyclic compounds Organic metalloid salts Organonitrogen compounds Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Boronic acid ester - 1,3,2-dioxaborolane - Carbamic acid ester - Organoheterocyclic compound - Organic metalloid salt - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alkylborane - Monoalkylborane - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 285.190 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 285.211 Da
• Monoisotopic Mass: 285.211 Da
• Topological Polar Surface Area: 56.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 334.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

References

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2. Lu Tao, Zhou Zhigao, Zhang Qi, Zhang Zhenyan, Qian Haifeng.  (2019)  Ecotoxicological Effects of Fungicides Azoxystrobin and Pyraclostrobin on Freshwater Aquatic Bacterial Communities.  BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY,  103  (5): (683-688).  [PMID:31471659] [10.1007/s00128-019-02706-x]

3. Qi Zhang, Dong Zhu, Jing Ding, Fei Zheng, Shuyidan Zhou, Tao Lu, Yong-Guan Zhu, Haifeng Qian.  (2019)  The fungicide azoxystrobin perturbs the gut microbiota community and enriches antibiotic resistance genes in Enchytraeus crypticus.  ENVIRONMENT INTERNATIONAL,      [PMID:31284112] [10.1016/j.envint.2019.104965]

4. Xiaochang Liu, Peng Quan, Shanshan Li, Chao Liu, Yuan Zhao, Yongshan Zhao, Liang Fang.  (2017)  Time dependence of the enhancement effect of chemical enhancers: Molecular mechanisms of enhancing kinetics.  JOURNAL OF CONTROLLED RELEASE,      [PMID:28088574] [10.1016/j.jconrel.2017.01.017]

5. Yao Deng, Ying-Ming Li, Wen-Juan Hu, Hang-Ping Fang, De-Yi Wang.  (2025)  The design of multi flame-retarding elements towards the enhance the flame retardancy and mechanical property of rigid polyurethane foam.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.136144]