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CAS

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204333-19-7

(S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol is a chiral compound characterized by the presence of a tert-butyl group, a dihydrooxazol-2-yl group, and a propan-2-ol group. It is known for its unique structural features and chiral nature, which make it a valuable building block in the synthesis of various pharmaceuticals and organic compounds. The presence of a chiral center in the molecule results in two enantiomers, with the (S)-enantiomer being the focus of this description.

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  • 204333-19-7 Structure

  • Basic information

    1. Product Name: (S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol
    2. Synonyms: (S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol;(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-alpha,alpha-dimethyl-2-oxazolemethanol
    3. CAS NO:204333-19-7
    4. Molecular Formula: C10H19NO2
    5. Molecular Weight: 185.26336
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 204333-19-7.mol

  • Chemical Properties

    1. Melting Point: 86-87℃ (hexane )
    2. Boiling Point: 241.4±23.0℃ (760 Torr)
    3. Flash Point: 99.8±22.6℃
    4. Appearance: /
    5. Density: 1.02±0.1 g/cm3 (20 ºC 760 Torr)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 14.13±0.29(Predicted)
    10. CAS DataBase Reference: (S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol(CAS DataBase Reference)
    11. NIST Chemistry Reference: (S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol(204333-19-7)
    12. EPA Substance Registry System: (S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol(204333-19-7)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 204333-19-7(Hazardous Substances Data)

204333-19-7 Usage

Uses

Used in Pharmaceutical Industry:
(S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol is used as a building block for the development of new drugs, leveraging its structural features and chiral nature to create innovative pharmaceutical compounds.
Used as a Reagent in Organic Synthesis:
In the field of organic synthesis, (S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol serves as a reagent, facilitating the creation of complex molecules by providing a versatile and functional group-rich starting material.
Used as a Chiral Auxiliary in Organic Synthesis:
(S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol is also utilized as a chiral auxiliary, playing a crucial role in the synthesis of enantiomerically pure compounds, which is essential for the development of effective and selective drugs.

Check Digit Verification of cas no

The CAS Registry Mumber 204333-19-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,4,3,3 and 3 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 204333-19:
(8*2)+(7*0)+(6*4)+(5*3)+(4*3)+(3*3)+(2*1)+(1*9)=87
87 % 10 = 7
So 204333-19-7 is a valid CAS Registry Number.

204333-19-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[(4S)-4-(2-Methyl-2-propanyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pr opanol

1.2 Other means of identification

Product number -
Other names 1-[(S)-1-allylpyrrolidin-2-yl]methanamine

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:204333-19-7 SDS

204333-19-7Relevant articles and documents

Synthesis of new chiral hydroxy oxazolines and their use in the catalytic asymmetric phenyl transfer to aldehydes

Bolm, Carsten,Schmidt, Frank,Zani, Lorenzo

, p. 1367 - 1376 (2007/10/03)

Starting either from benzoylformic acid or ethyl oxamate and enantiopure β-amino alcohols, several chiral α-hydroxy oxazolines have been prepared by short synthetic routes. Subsequently, they have been employed in the catalytic asymmetric phenyl transfer to various aldehydes, using a mixture of triphenylborane and diethylzinc as the phenyl source. The corresponding secondary alcohols were obtained with good enantioselectivities (up to 81% ee) and up to 92% yield.

Iridium-Catalyzed Enantioselective Hydrogenation of Olefins

Pfaltz, Andreas,Blankenstein, J?rg,Hilgraf, Robert,H?rmann, Esther,McIntyre, Steven,Menges, Frederik,Sch?nleber, Marc,Smidt, Sebastian P.,Wüstenberg, Bettina,Zimmermann, Nicole

, p. 33 - 43 (2007/10/03)

Cationic iridium complexes with chiral P,N-ligands and tetrakis[3,5- (trifluoromethyl)phenyl]borate (BArF) as the counterion are efficient homogeneous catalysts for the enantioselective hydrogenation of olefins. The complexes are readily prepared, air-sta

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