142824-10-0

Basic information

• Product Name: 1,3-Propanediol, 1-phenyl-, 3-acetate, (1S)-
• CAS NO: 142824-10-0
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Mol File: 142824-10-0.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 1,3-Propanediol, 1-phenyl-, 3-acetate, (1S)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Propanediol, 1-phenyl-, 3-acetate, (1S)-(142824-10-0)
• EPA Substance Registry System: 1,3-Propanediol, 1-phenyl-, 3-acetate, (1S)-(142824-10-0)

Safety Data

• Hazardous Substances Data: 142824-10-0(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of carbon (C), hydrogen (H), and oxygen (O) atoms in the compound.

Explanation

The compound is derived from 1,3-propanediol, which is a common solvent and used in the production of plastics, polymers, and cosmetics.

Explanation

The 1-phenylgroup in the compound indicates the presence of a benzene ring, which is a six-carbon ring with alternating single and double bonds.

Explanation

The 3-acetate group in the compound indicates the presence of an acetate functional group, which is a carboxylate ester derived from acetic acid.

Explanation

The (1S)designation refers to the stereochemistry of the molecule, specifically the configuration of the chiral center. In this case, it indicates that the hydroxyl group (-OH) is on the left side of the chiral center when drawn in a Fischer projection.

Explanation

The compound may have various industrial applications, such as in the production of plastics, polymers, and cosmetics, due to its unique chemical structure and properties.

Explanation

The compound should be handled and used with care due to its potentially hazardous nature. This may include proper storage, handling, and disposal procedures to minimize risks to human health and the environment.

Explanation

As a derivative of 1,3-propanediol, the compound may exhibit solvent properties, allowing it to dissolve other substances and be used in various chemical processes.

Explanation

The compound may be used in the production of polymers due to its chemical structure, which can contribute to the formation of polymer chains.

Explanation

The compound may be used in the cosmetics industry, possibly as an ingredient in various cosmetic products due to its solvent properties and potential for use in polymer production.

Derivative of 1,3-Propanediol

Yes

Presence of Benzene Ring

Yes

Presence of Acetate Functional Group

Yes

Stereochemistry

(1S)-

Industrial Applications

Various

Hazardous Nature

Potentially hazardous

Solvent Properties

Yes

Polymer Production

Potential use

Cosmetics Industry

Potential use

Upstream product

• 103-54-8 cinnamyl acetate 
• 1325730-30-0 (S)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl acetate 
• 1309803-57-3 (1S,5R,3Z)-1-acetoxy-6-benzyloxy-5-methyl-1-phenylhex-3-ene 
• 96854-34-1 (S)-3-phenyl-1,3-propanediol 
• 127-09-3 sodium acetate 
• 100306-34-1 3-chloro-1-phenylpropanol 

Downstream Products

• 156482-89-2 (R)-3-(2-hydroxy-3,4,6-trimethylphenyl)-3-phenylpropyl acetate 
• 571206-84-3 (1'R,5S)-5-butyl-1-(1'-phenyl-3'-hydroxypropyl)-hexahydro-2H-azepine-2-one 
• 571206-63-8 (R)-3-azido-3-phenyl-1-propanol 

Relevant articles and documents

1,5-Stereocontrol in tin(IV) halide mediated reactions between N- and S-substituted pent-2-enylstannanes and aldehydes or imines

Following transmetalation of (4S)-4-(dibenzylamino)pent-2-enyl(tributyl) stannane with tin(IV) bromide, reactions of the resulting allyltin tribromide with aldehydes gave (3Z)-1,5-syn-5-(dibenzylamino)hex-3-en-1-ols with excellent, ca. 98:2, stereocontrol. (4R)-5-Benzylthio-4-methylpent-2-enyl(tributyl) stannane similarly reacted with aldehydes to give (3Z)-1,5-anti-6-benzylthio-5- methylhex-3-en-1-ols with 87:13 stereocontrol. Although the analogous reaction of (4R)-4-benzylthiopent-2-enyl(tributyl)stannane with benzaldehyde proceeded with some stereoselectivity, 80-90:20-10, in favour of the (3Z)-1,5-syn- diastereoisomer, the yield was low due to a competing Lewis acid catalysed 1,4-elimination. N-Acylamino- and S-acylthio-pent-2-enylstannanes reacted with aldehydes with variable syn/anti-stereoselectivities. Tin(IV) chloride promoted reactions of the 4-(dibenzylamino)pent-2-enylstannane with 1- alkoxycarbonylimines gave (E)-alk-4-enoates with a modest preference for the 2,6-anti-products, 2,6-anti/2,6-syn=75:25.

Effective 1,5-, 1,6- and 1,7-remote stereocontrol in reactions of alkoxy- and hydroxy-substituted allylstannanes with aldehydes

Alk-2-enylstannanes with 4-, 5- and 6-alkoxy- or -hydroxy-substituents are transmetallated stereoselectively with tin(iv) halides to generate allyltin trihalides which react with aldehydes to give (Z)-alk-3-enols with useful levels of 1,5-, 1,6- and 1,7-stereocontrol. Alk-2-enylstannanes with a stereogenic centre bearing a hydroxy or alkoxy group at the 4-, 5- or 6-position, react with overall (Z)-1,5-, 1,6- and 1,7-syn-stereoselectivity with respect to the hydroxy and alkoxy substituents. The analogous reactions of alkoxy- and -hydroxyalk-2-enylstannanes with a methyl bearing stereogenic centre at the 4- or 5-position react with overall (Z)-1,5- and 1,6-anti-stereoselectivity with respect to the hydroxy and methyl substituents.

Optically active phenol derivatives and preparation thereof

An optically active tri-substituted methane compound having, as substituents, an aromatic ring group and a phenyl group having hydroxyl group at ortho or para position can be obtained by allowing a phenol compound unsubstituted at the ortho- or/and para-p