807312-27-2

Basic information

• Product Name: 1,3-Dioxane-4-aceticacid,6-(cyanomethyl)-2,2-dimethyl-,(4R,6R)-(9CI)
• Synonyms: 1,3-Dioxane-4-aceticacid,6-(cyanomethyl)-2,2-dimethyl-,(4R,6R)-(9CI)
• CAS NO: 807312-27-2
• Molecular Formula: C10H15NO4
• Molecular Weight: 213.23
• Product Categories: METHYL
• Mol File: 807312-27-2.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1,3-Dioxane-4-aceticacid,6-(cyanomethyl)-2,2-dimethyl-,(4R,6R)-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dioxane-4-aceticacid,6-(cyanomethyl)-2,2-dimethyl-,(4R,6R)-(9CI)(807312-27-2)
• EPA Substance Registry System: 1,3-Dioxane-4-aceticacid,6-(cyanomethyl)-2,2-dimethyl-,(4R,6R)-(9CI)(807312-27-2)

Safety Data

• Hazardous Substances Data: 807312-27-2(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule. In this case, the compound has 11 carbon (C), 17 hydrogen (H), 1 nitrogen (N), and 3 oxygen (O) atoms.

Explanation

These are the two different forms of the chiral molecule, which are mirror images of each other. The (4R,6R) form is the one described in the material provided.

Explanation

The compound is used as a versatile building block in the synthesis of various pharmaceuticals and agrochemicals due to its unique structure and reactivity.

Explanation

The presence of a cyanomethyl group on the 6th carbon atom makes the compound a suitable precursor for the synthesis of a variety of bioactive molecules.

Explanation

Due to its unique structure and reactivity, 1,3-Dioxane-4-aceticacid,6-(cyanomethyl)-2,2-dimethyl-,(4R,6R)-(9CI) serves as an important intermediate in the synthesis of various organic compounds, particularly in the chemical industries.

Chiral Molecule

Yes

Enantiomeric Forms

(4R,6R) and (4S,6S)

Application

Pharmaceutical and Agrochemical Synthesis

Cyanomethyl Group

Attached to the 6th carbon atom

1,3-Dioxane Ring

Provides stability to the molecule

Valuable Intermediate

In organic synthesis

Upstream product

• 2883-45-6 1, 6-heptadien-4-ol 

Relevant articles and documents

An improved synthesis of 1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, a key intermediate for atorvastatin synthesis

An improved synthesis of 1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, a key intermediate for the synthesis of an effective HMG-CoA reductase inhibitor atorvastatin, is described. The synthesis is based on the iodolactonization of hepta-1,6-dien-4-ol to 4-allyl-6-iodomethyl-1,3-dioxan-2-one, which was converted in several steps to (6-allyl-2,2-dimethyl-1,3-dioxan-4-yl)-acetonitrile. This intermediate provided (6-cyanomethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid either via the corresponding aldehyde or via (2,2-dimethyl-6-oxiranylmethyl-1,3-dioxan-4-yl)acetonitrile.

Process for trans-6-(2-(substituted-pyrrol-1-yl)alkyl)pryan-2-one inhibitors of cholesterol synthesis

An improved process for the preparation of trans-6-[2-(substituted-pyrrol-1-yl)alkyl]pyran-2-ones by a novel synthesis is described where 1,6-heptadien-4-ol is converted in eight operations to the desired products, as well as an improved process for the preparation of (2R-trans) and trans-(±)-5-(4-fluorophenyl)-2-(1-methylethyl)-N-4-diphenyl-1-[2-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1H-pyrrole-3-carboxamide by a novel synthesis where 4-methyl-3-oxo-N-phenylpentanamide is converted in eight operations to the desired product or alternatively 4-fluoro-α-[2-methyl-1-oxopropyl]-γ-oxo-N,β-diphenylbenzenebutaneamide is converted in one step to the desired product, and additionally, a process for preparing (2R-trans)-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1H-pyrrole-3-carboxamide from (R)-4-cyano-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]butanoic acid, as well as other valuable intermediates used in the processes.