116561-26-3

Basic information

• Product Name: 1,3-Dioxolane-4-carbonyl chloride, 2,2-dimethyl-, (4S)- (9CI)
• Synonyms: 1,3-Dioxolane-4-carbonyl chloride, 2,2-dimethyl-, (4S)- (9CI)
• CAS NO: 116561-26-3
• Molecular Formula: C₆H₉ClO₃
• Molecular Weight: 164.58686
• Product Categories: ACIDHALIDE
• Mol File: 116561-26-3.mol
• Article Data: 7

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1,3-Dioxolane-4-carbonyl chloride, 2,2-dimethyl-, (4S)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dioxolane-4-carbonyl chloride, 2,2-dimethyl-, (4S)- (9CI)(116561-26-3)
• EPA Substance Registry System: 1,3-Dioxolane-4-carbonyl chloride, 2,2-dimethyl-, (4S)- (9CI)(116561-26-3)

Safety Data

• Hazardous Substances Data: 116561-26-3(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule of the compound.
2. Carbonyl chloride derivative

Explanation

It is a compound that contains a carbonyl chloride (C(O)Cl) functional group.
3. 4S configuration

Explanation

The 4S configuration refers to the stereochemistry of the compound, specifically the spatial arrangement of the atoms around the chiral center at the 4th position.
4. Reagent in organic synthesis

Explanation

It is used as a starting material or a catalyst in the formation of other organic compounds.
5. Preparation of pharmaceuticals and agrochemicals

Explanation

The compound is used in the synthesis of various pharmaceuticals and agrochemicals, which are chemicals used in the medical and agricultural industries, respectively.
6. Versatile building block

Explanation

It can be used to create a wide range of organic compounds due to its chemical structure and reactivity.
7. Applications in the production of fine chemicals

Explanation

Fine chemicals are high-purity chemicals used in various industries, and this compound is used in their production.
8. Chiral auxiliary in asymmetric synthesis

Explanation

A chiral auxiliary is a temporary component added to a molecule to control its stereochemistry during a chemical reaction. Asymmetric synthesis refers to the creation of one enantiomer (mirror image) of a molecule over another, and this compound can be used to achieve this.
9. Importance in organic chemistry

Explanation

Due to its diverse applications and reactivity, this compound is considered an important reagent in the field of organic chemistry.

Upstream product

• 102045-96-5 2,3-O-isopropylidene-L-glyceric acid 
• 14347-78-5 1,2-O-isopropylidene-D-glycerol 
• 1707-77-3 1,2:5,6-di-O-isopropylidene-D-mannitol 
• 22323-80-4 (4S)-2,2-dimethyl-[1,3]dioxolane-4-carbaldehyde 
• 117205-81-9 potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate 
• 14028-61-6 Kaliumsalz der O-Isopropyliden-D-glycerinsaeure 
• 15186-48-8 2,3-isopropylidene-glyceraldehyde 
• 22323-82-6 (S)-(+)-(2,2-dimethyl-[1,3]dioxolan-4-yl)methanol 
• 114746-70-2 (R)-2,2-dimethyl-[1,3]dioxolane-4-carboxylic acid 
• 14028-61-6 potassium (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate 

Downstream Products

• 104017-05-2 phenyl 1,2-O-isopropylidene-D-glycerate 
• 16354-97-5 [(R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenylmethanone 
• 170164-82-6 (R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylpropan-1-one 
• 201420-74-8 [(R)-2,2-dimethyl-1,3-dioxolan-4-yl](phenyl)methanol 
• 73945-72-9 Benzoic acid 2-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2-oxo-ethyl ester 
• 264600-71-7 3-(4-(1-(2,2-dimethyl-1,3-dioxolan-4(S)-ylcarbonyl)-1,2,5,6-tetrahydropyrid-4-yl)-3,5-difluorophenyl)-5(R)-acetoxymethyloxazolidin-2-one 
• 264600-50-2 5(R)-[N-isoxazol-3-yl-N-(2,2,2-trichloroethyloxycarbonyl)aminomethyl]-3-{3-fluoro-4-[N-(2,2-dimethyl-1,3-dioxolan-4(S)-ylcarbonyl)-1,2,5,6-tetrahydropyrid-4-yl]phenyl}oxazolidin-2-one 
• 97652-54-5 N-(O-Isopropyliden-D-glyceroyl)-(S-benzyl)-L-cystein 
• 97652-53-4 N-(O-Isopropyliden-D-glyceroyl)-L-phenylalanin 
• 97652-49-8 N-(O-Isopropyliden-D-glyceroyl)-L-phenylalanin-tert-butylester 
• 97652-46-5 N-(O-Isopropyliden-D-glyceroyl)-(S-benzyl)-L-cysteinmethylester 
• 97652-45-4 N-(O-Isopropyliden-D-glyceroyl)-L-phenylalaninmethylester 
• 949087-01-8 (+)-N,N'-{2-[(benzyloxy)imino]propane-1,3-diyl}bis{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]carboxamide} 
• 148065-34-3 (R)-2,2-dimethyl-1,3-dioxolane-4-carboxamide 

Relevant articles and documents

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Synthetic studies towards 4,10-diaza-1,7-dioxaspiro[5.5]undecanes: access to 3-aza-6,8-dioxabicyclo[3.2.1]octan-2-one and 2H-1,4-oxazin-3(4H)-one frameworks

Synthetic approaches towards 4,10-diaza-1,7-dioxaspiro[5.5]undecanes starting from 1,3-dichloroacetone and solketal derivatives are explored. The method relies on the preparation of a key bis-substituted dihydroxy-protected oxime, which would undergo a final acidic deprotection-spiroacetalization process. Although the desired diazaspiroketal framework could not be obtained, our conditions led to the unexpected 3-aza-6,8-dioxabicyclo[3.2.1]octan-2-one 18 or to the oxazinone 32 in good yields.

A route to homochiral (S)-O-methyl mandelic acid and related α-alkoxy carboxylic acids from isopropylidene glycerol

An improved synthesis of the useful ketones 7 is described. These ketones are then further modified via a highly stereospecific reduction to give homochiral α-alkoxy carboxylic acids which are useful chiral auxiliaries and intermediates.