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(S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid is a carboxylic acid chemical compound characterized by its white solid appearance and a molecular formula of C7H12O4. With a molecular weight of 160.17 g/mol, this compound features a distinctive dioxolane ring and a carboxylic acid group, which contribute to its value as a building block in the creation of new compounds with tailored properties and functionalities. It is an important and versatile chemical with a wide range of applications across different industries.

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  • 102045-96-5 Structure
  • Basic information

    1. Product Name: (S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid
    2. Synonyms: (S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid;1,3-Dioxolane-4-carboxylicacid,2,2-dimethyl-,(4S)-(9CI);1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-, (4S)-;(S)-2,3-(Isopropylidenedioxy)propionic acid;(S)-2,2-Dimethyldioxolane-4-carboxylic acid
    3. CAS NO:102045-96-5
    4. Molecular Formula: C6H10O4
    5. Molecular Weight: 146.1412
    6. EINECS: N/A
    7. Product Categories: CARBOXYLICACID
    8. Mol File: 102045-96-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 244.151°C at 760 mmHg
    3. Flash Point: 101.605°C
    4. Appearance: /
    5. Density: 1.203g/cm3
    6. Vapor Pressure: 0.01mmHg at 25°C
    7. Refractive Index: 1.447
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: (S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: (S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid(102045-96-5)
    12. EPA Substance Registry System: (S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid(102045-96-5)
  • 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: 102045-96-5(Hazardous Substances Data)

102045-96-5 Usage

Uses

Used in Pharmaceutical Synthesis:
(S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid is utilized as a key intermediate in the synthesis of pharmaceuticals, contributing to the development of new drugs with specific therapeutic properties. Its unique structure allows for the creation of molecules that can target various biological pathways and diseases.
Used in Agrochemical Production:
In the agrochemical industry, (S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid serves as a crucial component in the production of pesticides and other crop protection agents. Its incorporation into these products can enhance their effectiveness in protecting crops from pests and diseases.
Used in Materials Science:
(S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid also finds potential applications in the field of materials science. Its distinctive structure can be leveraged to develop new materials with improved properties, such as enhanced stability, reactivity, or selectivity, which can be beneficial in various technological and industrial applications.
Overall, (S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid is a multifaceted chemical compound with significant applications in pharmaceuticals, agrochemicals, and materials science, making it an indispensable component in the development of innovative products and technologies.

Check Digit Verification of cas no

The CAS Registry Mumber 102045-96-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,2,0,4 and 5 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 102045-96:
(8*1)+(7*0)+(6*2)+(5*0)+(4*4)+(3*5)+(2*9)+(1*6)=75
75 % 10 = 5
So 102045-96-5 is a valid CAS Registry Number.
InChI:InChI=1/C6H10O4/c1-6(2)9-3-4(10-6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m0/s1

102045-96-5SDS

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 (S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid

1.2 Other means of identification

Product number -
Other names 2,3-Isopropylidene-sn-glycerol 1-tosylate

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:102045-96-5 SDS

102045-96-5Downstream Products

102045-96-5Relevant articles and documents

Mapping the substrate selectivity of new hydrolases using colorimetric screening: Lipases from Bacillus thermocatenulatus and Ophiostoma piliferum, esterases from Pseudomonas fluorescens and Streptomyces diastatochromogenes

Liu, Andrew Man Fai,Somers, Neil A.,Kazlauskas, Romas J.,Brush, Terry S.,Zocher, Frank,Enzelberger, Markus M.,Bornscheuer, Uwe T.,Horsman, Geoff P.,Mezzetti, Alessandra,Schmidt-Dannert, Claudia,Schmid, Rolf D.

, p. 545 - 556 (2001)

Recent advances in biochemistry and molecular biology have simplified the discovery and preparation of new hydrolases. Although these hydrolases might solve problems in organic synthesis, measuring their selectivity, especially enantioselectivity, remains tedious and time consuming. Recently, we developed a colorimetric screening method to measure the enantioselectivity of hydrolases. Here we apply this rapid screening method to map the substrate selectivity of four new hydrolases: lipases from the thermophilic Bacillus thermocatenulatus (DSM 730, BTL2) and a filamentous fungus Ophiostoma piliferum (NRRL 18917, OPL) and esterases from two bacteria, Pseudomonas fluorescens (SIK-W1, esterase I, PFE) and Streptomyces diastatochromogenes (Tue 20, SDE). We screened a general library of 29 substrates and a chiral library of 23 pairs of enantiomers. All four hydrolases catalysed the hydrolysis of unnatural substrates, but the two lipases accepted a broader range of substrates than the two esterases. As expected, the two lipases favoured more hydrophobic substrates, while the two esterases showed a preference for smaller substrates. Several moderately enantioselective reactions were identified for the solketal esters: BTL2, butyrate, E = 7.9 (R); octanoate, E = 4.9 (R) and 3-bromo-2-methyl propionate methyl esters, PFE, E = 12 (S); SDE, E = 5.6 (S). OPL showed low enantioselectivity toward all substrates tested. The current colorimetric screen could not measure the selectivity for several slow-reacting substrates. Traditional screening identified high enantioselectivity of BTL2 and PFE toward one of these slow substrates, 1-phenylethyl acetate (E>50).

Scope and Mechanism of Deprotection of Carboxylic Esters by Bis(tributyltin) Oxide

Salomon, Claudio J.,Mata, Ernesto G.,Mascaretti, Oreste A.

, p. 7259 - 7266 (1994)

Methyl and ethyl esters of aliphatic and aromatic carboxylic acids as well as benzyl carboxylates, thiol esters and double esters such as (pivaloyloxy)methyl carboxylates have been successfully cleaved with bis(tributyltin) oxide to give the free carboxylic acids in good yields.The reaction is carried out in aprotic solvents under essentially neutral conditions and thus this method can serve as an ideal procedure for the cleavages of esters with other functional groups and/or protecting groups acid and/or base sensitive.We demonstrated that the reaction displays a high level of chemoselectivity between methyl and ethyl esters versus tert-butyl esters and γ-lactones.Bis(tributyltin) oxide is also a highly efficient reagent for the cleavage of acetates of primary and secondary alcohols and phenols.The limitations we found in the use of this reagent include the lack of cleavage of esters sterically hindered around the carboxyl carbon and the carbinol group (i.e., esters of tertiary alcohols) and in carboxylic esters that contain a fluoroalkyl substituent.A resonable mechanistic explanation is discussed to account for the reaction pathway of the acyloxygen cleavage of (-)-(1R)-menthyl acetate.

THERAPEUTIC METHODS

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Page/Page column 135; 141-142, (2020/05/28)

The invention provides methods and compositions for delivering a nucleic acid to a cell or the cytosol of the target cell. The method includes contacting the cell with, 1) a membrane-destabilizing polymer; and 2) a nucleic acid conjugate. The nucleic acid conjugate includes a targeting ligand bound to an optional linker and a nucleic acid.

METHODS FOR TREATING HEPATITIS B INFECTIONS

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Page/Page column 209-210, (2019/04/09)

Certain embodiments of the invention provide a method for identifying a patient that has a higher likelihood of responding to an HBV antigen inhibitor, such a method comprising detecting a hepatitis B virus (HBV) infected patient's genotype at one or more of the IL28B/A associated SNPs described herein, wherein the relevant genotype(s) described herein are indicative of a patient that has a higher likelihood of responding to an HBV antigen inhibitor as compared to an HBV infected patient having different genotypes at these locations.

TARGETED COMPOSITIONS

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Page/Page column 129; 130, (2018/11/10)

The invention provides certain nucleic acids (e.g., double stranded siRNA molecules), as well as conjugates that comprise a targeting moiety, a double stranded siRNA, and optional linking groups. Certain embodiments also provide synthetic methods useful for preparing the conjugates. The conjugates are useful to target therapeutic double stranded siRNA to the liver and to treat liver diseases including hepatitis (e.g. hepatitis B and hepatitis D).

TARGETED NUCLEIC ACID CONJUGATE COMPOSITIONS

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Page/Page column 102; 103, (2017/11/10)

The invention provides conjugates that comprise a targeting moiety, a nucleic acid, and optional linking groups as well as synthetic intermediates and synthetic methods useful for preparing the conjugates. The conjugates are useful to target therapeutic nucleic acids to the liver and to treat liver diseases including hepatitis (e.g. hepatitis B and hepatitis D).

STEROL DERIVATIVES AND USE THEREOF FOR TREATING DISEASES INVOLVING TRANSFORMED ASTROCYTE CELLS OR FOR TREATING MALIGNANT HAEMOPATHIES

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Page/Page column 25, (2013/12/03)

The invention relates to novel sterol derivatives, the preparation method thereof, pharmaceutical compositions containing them and use thereof for treating diseases involving transformed astrocyte cells or for treating malignant haemopathies. The inventio

NOVEL COMPOUND 395

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Page/Page column 10, (2010/02/17)

A compound of formula (1) and pharmaceutically acceptable salts thereof for use in the treatment of chemokine mediated diseases and conditions.

Studies on the synthesis of (-)-gymnodimine. Subunit synthesis and coupling

White, James D.,Quaranta, Laura,Wang, Guoqiang

, p. 1717 - 1728 (2007/10/03)

Two principal subunits of the marine algal toxin (-)-gymnodimine were synthesized. A trisubstituted tetrahydrofuran representing C10-C18 of the toxin was prepared via a highly stereoselective iodine-mediated cyclization of an acyclic alkene bearing a bis-

8-Azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists

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Page/Page column 23, (2008/06/13)

The invention provides novel 8-azabicyclo[3.2.1]octane compounds of formula (I): wherein R1, R2, R3, A, and G are defined in the specification, or a pharmaceutically-acceptable salt or solvate thereof, that are antagonists at the mu opioid receptor. The invention also provides pharmaceutical compositions comprising such compounds, methods of using such compounds to treat conditions associated with mu opioid receptor activity, and processes and intermediates useful for preparing such compounds.

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