38410-80-9

Basic information

• Product Name: METHYL (4S)-TRANS-2,2,5-TRIMETHYL-1,3-DIOXOLANE-4-CARBOXYLATE
• Synonyms: METHYL (4S)-TRANS-2 2 5-TRIMETHYL-1 3- &;methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate;Methyl 4-deoxy-2,3-O-isopropylidene-D-threonate, 4-Deoxy-2,3-O-isopropylidene-D-threonic acid methyl ester, Methyl (2S,3R)-2,3-O-isopropylidene-2,3-dihydroxybutyrate, Methyl (4S)-trans-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate;(4S)-2,2,5β-Trimethyl-1,3-dioxolane-4α-carboxylic acid methyl ester;(4S,5R)-2,2,5-Trimethyl-1,3-dioxolane-4-carboxylic acid methyl ester;1,3 dioxolane-4-carboxylic acid;(4S,5R)-Methyl 2,2,5-triMethyl-1,3-dioxolane-4-carboxylate;1,3-Dioxolane-4-carboxylicacid, 2,2,5-triMethyl-, Methyl ester, (4S,5R)-
• CAS NO: 38410-80-9
• Molecular Formula: C₈H₁₄O₄
• Molecular Weight: 174.19
• Product Categories: Piperidines ,Piperazines ,Homopiperidines
• Mol File: 38410-80-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 70-75 °C1 mm Hg(lit.)
• Flash Point: 201 °F
• Appearance: /
• Density: 1.056 g/mL at 25 °C(lit.)
• Vapor Pressure: 15.359mmHg at 25°C
• Refractive Index: n20/D 1.422(lit.)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: METHYL (4S)-TRANS-2,2,5-TRIMETHYL-1,3-DIOXOLANE-4-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL (4S)-TRANS-2,2,5-TRIMETHYL-1,3-DIOXOLANE-4-CARBOXYLATE(38410-80-9)
• EPA Substance Registry System: METHYL (4S)-TRANS-2,2,5-TRIMETHYL-1,3-DIOXOLANE-4-CARBOXYLATE(38410-80-9)

Safety Data

• Statements: 10
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 38410-80-9(Hazardous Substances Data)

Usage

General Description

Methyl (4S)-trans-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate is a chemical compound commonly used in the pharmaceutical and fragrance industries. It is a colorless liquid with a sweet, fruity odor, and is often used as a flavor and fragrance ingredient to impart pear and apple-like notes. It is also used as a solvent in organic synthesis and as a precursor in the production of various pharmaceuticals and agrochemicals. Additionally, it has potential applications in the development of new materials and as a building block for the synthesis of various organic compounds.

InChI:InChI=1/C7H14O2/c1-5-6(2)9-7(3,4)8-5/h5-6H,1-4H3/t5-,6-/m0/s1

Upstream product

• 38410-83-2 (2S,3R)-(-)-methyl 2,3-dihydroxybutanoate 
• 77-76-9 2,2-dimethoxy-propane 
• 117406-91-4 (2R,3S)-2,3-Dihydroxy-butyric acid methyl ester 
• 10133-06-9 methyl (+/-)-trans-(2,3)-epoxy butanoate 
• 67-64-1 acetone 
• 10133-07-0 trans-2,3-Epoxy-buttersaeuremethylester 
• 623-43-8 methyl crotonate 

Downstream Products

• 127062-02-6 (4S,5R)-2,2,5-Trimethyl-[1,3]dioxolane-4-carboxylic acid 
• 501013-47-4 (4S,5R)-2-Benzyloxymethyl-5-methyl-[1,3]dioxolane-4-carboxylic acid methyl ester 
• 677751-84-7 C₁₁H₁₈O₃ 
• 677752-15-7 (4R,5S,6S)-2,2,4-Trimethyl-7-methylene-1,3-dioxa-spiro[4.4]nonan-6-ol 
• 144829-98-1 (3S,4R)-3,4-(isopropylidenedioxy)-2-propanone 
• 155322-89-7 (4S,5R)-2,2,5-trimethyl[1,3]dioxolane-4-carbonyl chloride 
• 82010-51-3 (+/-)-2,2,5-trimethyl-cis-1,3-dioxolane-4-carboxaldehyde 

Relevant articles and documents

2,2,5-Trimethyl-1,3-dioxolane-4-carboxaldehyde as a Chiral Synthon: Synthesis of the Two Enantiomers of Methyl 2,3,6-Trideoxy-α-L-threo-hex-2-enopyranoside, Key Intermediate in the Synthesis of Daunosamine, and of (+)- and (-)-Rhodinose

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Total synthesis of (-)-Jiadifenin

As easy as ABCD: (-)-Jiadifenin was synthesized in eighteen reaction steps from 1-[(E)-(4′-bromo-2′-butenyl)oxy]-4-methoxybenzene. Key features of this synthesis include: 1) Ireland-Claisen rearrangement to produce the two contiguous quaternary centers at

Stereoselective Synthesis of Alcohols, XII. Synthesis of the C-9/C-13 Partial Structure of Methynolide

Reduction of the β-ketoester 5 by yeast led to the β-hydroxyester 7, which was converted to the epoxyesters 13 and 15.Their transformation into the dioxolane carboxylic esters 14 and 16 by SnCl4/acetone proceeded under inversion at C-3.The structure 14 was secured by independent synthesis from D-ribonolactone.The enolate derived from 14 or 16 gave on methylation predominantly the cis-substituted product 21.The isomeric product 2 was obtained from D-fructose in six steps.