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(1S, 9S)-(-)-1,9-BIS[(TERT-BUTYLDIMETHYLSILYLOXY)METHYL]-5-CYANOSEMICORRIN is a cyanocorrinoid, a type of organocobalt compound characterized by its semicorrin ring structure. This specific compound features tert-butyldimethylsilyloxy groups at the 1 and 9 positions of the semicorrin ring and a cyano group at position 5. Its unique structure and functional groups make it valuable for applications in chemistry and biochemistry, particularly in the study of cobalt-based enzymatic processes and the development of vitamin B12 analogues.

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  • (1S,9S)-1,9-BIS((TERT-BUTYLDIMETHYLSILYL -OXY)METHYL)-5-CYANOSEMICORRIN, 97%

    Cas No: 105251-52-3

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  • 105251-52-3 Structure
  • Basic information

    1. Product Name: (1S, 9S)-(-)-1,9-BIS[(TERT-BUTYLDIMETHYLSILYLOXY)METHYL]-5-CYANOSEMICORRIN
    2. Synonyms: SEMICORRIN CHIRAL LIGAND 2;(1S,9S)-1,9-BIS((T-BUTYLDIME.SILOXY)ME)- 5-CYANOSEMICORRIN;1,9-bis[(tert-butyldimethylsilyloxy)methyl]cyanosemicorrin;Semicorrin chiral ligand 2, (1S,9S)-1,9-Bis[(tert-butyldimethylsiloxy)methyl]-5-cyanosemicorrin;(1S,9S)-1,9-Bis[(tert-butyldimethylsiloxy)methyl]-5-cyanosemicorrin >=97.0%;(1S,9S)-1,9-Bis{[(t-butyl)dimethylsilyloxy]methyl}-5-cyanosemicorrin;(1S,9S)-1,9-BIS[(TERT-BUTYLDIMETHYLSILOXY)METHYL]-5-CYANOSEMICORRIN;(1S, 9S)-(-)-1,9-BIS[(TERT-BUTYLDIMETHYLSILYLOXY)METHYL]-5-CYANOSEMICORRIN
    3. CAS NO:105251-52-3
    4. Molecular Formula: C24H45N3O2Si2
    5. Molecular Weight: 463.8
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 105251-52-3.mol
  • Chemical Properties

    1. Melting Point: 74-77 °C
    2. Boiling Point: 477°Cat760mmHg
    3. Flash Point: 242.3°C
    4. Appearance: /
    5. Density: 1g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.503
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. BRN: 5153664
    11. CAS DataBase Reference: (1S, 9S)-(-)-1,9-BIS[(TERT-BUTYLDIMETHYLSILYLOXY)METHYL]-5-CYANOSEMICORRIN(CAS DataBase Reference)
    12. NIST Chemistry Reference: (1S, 9S)-(-)-1,9-BIS[(TERT-BUTYLDIMETHYLSILYLOXY)METHYL]-5-CYANOSEMICORRIN(105251-52-3)
    13. EPA Substance Registry System: (1S, 9S)-(-)-1,9-BIS[(TERT-BUTYLDIMETHYLSILYLOXY)METHYL]-5-CYANOSEMICORRIN(105251-52-3)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 105251-52-3(Hazardous Substances Data)

105251-52-3 Usage

Uses

Used in Chemistry and Biochemistry Research:
(1S, 9S)-(-)-1,9-BIS[(TERT-BUTYLDIMETHYLSILYLOXY)METHYL]-5-CYANOSEMICORRIN is used as a research compound for studying cobalt-based enzymatic processes and the role of vitamin B12 in various biological systems. Its unique structure and functional groups allow for the investigation of its interactions with enzymes and other biomolecules, contributing to a deeper understanding of the mechanisms involved in these processes.
Used in Pharmaceutical Development:
In the pharmaceutical industry, (1S, 9S)-(-)-1,9-BIS[(TERT-BUTYLDIMETHYLSILYLOXY)METHYL]-5-CYANOSEMICORRIN is used as a starting material or intermediate in the synthesis of vitamin B12 analogues and other cobalt-containing drugs. Its unique structure and functional groups can be modified to create new compounds with potential therapeutic applications, such as improved absorption, targeted delivery, or enhanced stability.
Used in Analytical Chemistry:
(1S, 9S)-(-)-1,9-BIS[(TERT-BUTYLDIMETHYLSILYLOXY)METHYL]-5-CYANOSEMICORRIN can be employed as a reference compound or standard in analytical chemistry for the development and validation of methods for the detection and quantification of cobalt-containing compounds, including vitamin B12 and its analogues. Its unique structure and functional groups make it a suitable candidate for these applications, ensuring accurate and reliable results in various analytical techniques.
Used in Material Science:
In the field of material science, (1S, 9S)-(-)-1,9-BIS[(TERT-BUTYLDIMETHYLSILYLOXY)METHYL]-5-CYANOSEMICORRIN may be utilized in the development of novel materials with specific properties, such as catalysts, sensors, or functional coatings. Its unique structure and functional groups can be exploited to create materials with tailored characteristics, such as enhanced catalytic activity, selective binding, or improved stability under various conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 105251-52-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,5,2,5 and 1 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 105251-52:
(8*1)+(7*0)+(6*5)+(5*2)+(4*5)+(3*1)+(2*5)+(1*2)=83
83 % 10 = 3
So 105251-52-3 is a valid CAS Registry Number.
InChI:InChI=1/C24H45N3O2Si2/c1-23(2,3)30(7,8)28-16-18-11-13-21(26-18)20(15-25)22-14-12-19(27-22)17-29-31(9,10)24(4,5)6/h18-19,26H,11-14,16-17H2,1-10H3/b21-20-/t18-,19-/m0/s1

105251-52-3 Well-known Company Product Price

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  • Aldrich

  • (14556)  (1S,9S)-1,9-Bis[(tert-butyldimethylsiloxy)methyl]-5-cyanosemicorrin  ≥97.0%

  • 105251-52-3

  • 14556-10MG

  • 2,577.51CNY

  • Detail

105251-52-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (1S,9S)-1,9-bis<<(tert-butyl)dimethylsilyl>methyl>semicorrin-5-carbonitrile

1.2 Other means of identification

Product number -
Other names (1S,9S)-1,9-BIS[(TERT.-BUTYLDIMETHYLSILOXY)METHYL]-5-CYANOSEMICORRIN

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:105251-52-3 SDS

105251-52-3Downstream Products

105251-52-3Relevant articles and documents

Semicorrin Metal Complexes as Enantioselective Catalysts. Part 1. Synthesis of Chiral Semicorrin Ligands and General Concepts

Fritschi, Hugo,Leutenegger, Urs,Siegmann, Konstantin,Pfaltz, Andreas,Keller, Walter,Kratky, Christoph

, p. 1541 - 1552 (2007/10/02)

An efficient synthesis of chiral semicorrin ligands is described (see 6-9, Schemes 2 and 3).Both enantiomers are readily obtained in enantiomerically pure form starting either from D- or L-pyroglutamic acid (1).Semicorrins of this type possess several features that make them attractive ligands for enantioselective control of metal-catalyzed reactions.Their structure is characterized by C2 symmetry, a conformationally rigid ligand system, and two stereogenic centers adjacent to the coordination sphere.In a metal complex, the two substituents at the stereogenic centers shield the metal atom from two opposite directions and, therefore, are expected to have a pronounced effect on the stereochemical course of a reaction occuring in the coordination sphere.The structure of these two substituents can be easily modified in a variety of ways.A series of (semicorrinato)copper(II) complexes (see 10-14, Scheme 4) has been prepared, and in one case (14), the three-dimensional structure has been determined by X-ray analysis (Fig. 1).

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