tert-Butylchlorodiphenylsilane solution - 1M in methylene chloride , CAS No.58479-61-1

CAS: 58479-61-1 Cat. No.: T466065 Molecular Weight: 274.86 Beilstein Registry Number: 644023 EC Number: 261-282-0

GRADE & PURITY 1M in methylene chloride

Synonyms

t-butylchlorodiphenyl silane | tert-butyl diphenylsilyl chloride | NSC617386 | NSC-617386 | tert-Butyl(chloro)diphenylsilane, 98% | Silane, chloro(1,1-dimethylethyl)diphenyl- | t-butylchlorodiphenylsilane | t-butyl-chlorodiphenylsilane | tert-butyldipheny

Storage

Room temperature

Overview

Description

tert-Butylchlorodiphenylsilane can be used to prepare 1-benzyloxy-3-(tert-butyldiphenylsilyloxy)propan-2-ol, a key intermediate for the synthesis of mono-O-protected pyrimidine acyclic nucleosides.

Specifications

Synonyms

t-butylchlorodiphenyl silane | tert-butyl diphenylsilyl chloride | NSC617386 | NSC-617386 | tert-Butyl(chloro)diphenylsilane, 98% | Silane, chloro(1, 1-dimethylethyl)diphenyl- | t-butylchlorodiphenylsilane | t-butyl-chlorodiphenylsilane | tert-butyldipheny

Specifications & Purity

1M in methylene chloride

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)Cl
• IUPAC Name: tert-butyl-chloro-diphenylsilane
• InChIKey: MHYGQXWCZAYSLJ-UHFFFAOYSA-N
• INCHI: 1S/C16H19ClSi/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
• Isomeric SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)Cl
• WGK Germany: 3
• UN Number: 2987
• Molecular Weight: 274.86
• Beilstein: 644023
• Reaxy-Rn: 644023
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=644023&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylarylsilanes
• Alternative Parents: Benzene and substituted derivatives Silyl monohalides Organochlorosilanes Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkylarylsilane - Benzenoid - Monocyclic benzene moiety - Silyl monohalide - Organoheterosilane - Organochlorosilane - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
• 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

• Refractive Index: 1.5665-1.5685
• Flash Point(°C): 112 °C
• Boil Point(°C): 125 °C/0.06 mmHg
• Molecular Weight: 274.860 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 274.094 Da
• Monoisotopic Mass: 274.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 239.000
• 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

1. Yongxiao Xu, Qinghua Yang, Duxia Cao, Zhiqiang Liu, Songfang Zhao, Ruifang Guan, Yibing Wang, Qianqian Wu, Xueying Yu.  (2017)  A novel silicon-oxygen aurone derivative assisted by graphene oxide as fluorescence chemosensor for fluoride anions.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:28391072] [10.1016/j.saa.2017.03.073]

2. Zhang Shan, Sun Mingtai, Yan Yehan, Yu Huan, Yu Tao, Jiang Hui, Zhang Kui, Wang Suhua.  (2016)  A turn-on fluorescence probe for the selective and sensitive detection of fluoride ions.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  409  (8): (2075-2081).  [PMID:28028590] [10.1007/s00216-016-0154-0]

3. Yake Luo, Shanshan Ma, Bo Sui, Luyang Zhang, Ajuan Yu, Jiaheng Zhang, Yanhao Zhang, Wuduo Zhao, Gangfeng Ouyang.  (2024)  Exploring an indirect quantification strategy for PFOA in rat tissues via efficient degradation and fluorescence spectroscopy.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.112108]

4. Meili Yang, Liu Yang, Huixin Yu, Xin Zhang, Zhong Zhang, Mao-Sen Yuan.  (2025)  A HBT-based multifunctional ratiometric fluorescence probe for naked-eye sensing pH and fluoride.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.144074]