105452-39-9

Basic information

• Product Name: 1,3-Propanediol, 2-amino-1-phenyl-, (1R,2S)-
• CAS NO: 105452-39-9
• Molecular Formula: C9H13NO2
• Molecular Weight: 167.208
• Mol File: 105452-39-9.mol
• Article Data: 9

Chemical Properties

• CAS DataBase Reference: 1,3-Propanediol, 2-amino-1-phenyl-, (1R,2S)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Propanediol, 2-amino-1-phenyl-, (1R,2S)-(105452-39-9)
• EPA Substance Registry System: 1,3-Propanediol, 2-amino-1-phenyl-, (1R,2S)-(105452-39-9)

Safety Data

• Hazardous Substances Data: 105452-39-9(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 9 carbon (C), 13 hydrogen (H), 1 nitrogen (N), and 2 oxygen (O) atoms.
2. Chiral Compound

Explanation

A chiral compound is one that cannot be superimposed on its mirror image, resulting in two distinct forms known as enantiomers. The (1R,2S)notation indicates the specific configuration of the chiral centers in this compound.
3. Amino Alcohol

Explanation

This compound is classified as an amino alcohol because it contains both an amino group (-NH2) and a hydroxyl group (-OH) attached to the carbon chain.
4. Phenyl Group Attachment

Explanation

The compound has a phenyl group (C6H5) attached to the second carbon of the propanediol chain, which contributes to its unique chemical properties and potential applications.
5. Applications in Organic Chemistry and Pharmaceutical Research

Explanation

Due to its chiral nature, this compound is valuable in the synthesis of chiral drugs and catalysts, which are essential in various chemical reactions and pharmaceutical applications.
6. Potential Applications in Material Development

Explanation

The compound's unique structure and properties make it a candidate for the development of new materials with specific characteristics.
7. Building Block for Organic Synthesis

Explanation

The compound can be used as a starting material for the synthesis of various organic compounds, taking advantage of its reactive functional groups and chiral centers.
8. Biological Activity

Explanation

The chiral nature of the compound may result in different biological activities when compared to its enantiomers, making it a subject of interest in medicinal chemistry for potential therapeutic applications.

Upstream product

• 42267-16-3 erythro-DL-β-phenylserine ethyl ester hydrochloride 
• 107100-44-7 5-bromo-2,4-diphenyl-[1,3]dioxane 
• 42267-16-3 threo-DL-β-phenylserine ethyl ester hydrochloride 
• 15917-28-9 (2RS,3SR)-2-amino-3-hydroxy-3-phenyl-propionic acid ethyl ester 
• 15917-28-9 (2RS,3RS)-2-amino-3-hydroxy-3-phenyl-propionic acid ethyl ester 
• 38114-29-3 (+/-)-methyl (βS)-β-hydroxy-1-phenylalaninate 
• 3306-06-7 2-Amino-1-phenyl-propane-1,3-diol 
• 1377320-83-6 (S)-tert-butyl 4-(hydroxy(phenyl)methyl)-2,2-dimethyloxazolidine-3-carboxylate 
• 4192-77-2 ethyl cinnamate 
• 108741-12-4 ethyl (2S,3R)-2,3-dihydroxy-3-phenylpropanoate 
• 1294479-60-9 ethyl (2S,3R)-3-hydroxy-2-(((4-nitrophenyl)sulfonyl)oxy)-3-phenylpropanoate 
• 1294479-61-0 ethyl (2R,3R)-2-azido-3-hydroxy-3-phenylpropanoate 
• 91247-54-0 1-Phenyl-2-acetamido-1,3-propandiol 
• 100370-33-0 (2RS,3SR)-2-amino-3-methoxy-3-phenyl-propionic acid ethyl ester; hydrochloride 

Downstream Products

• 25126-19-6 (1RS,2RS)-2-(2,2-dichloro-acetylamino)-1-phenyl-propane-1,3-diol 
• 53732-41-5 (+/-)-(2-methyl-5c-phenyl-4,5-dihydro-oxazol-4r-yl)-methanol 
• 53732-41-5 (+/-)-(2-methyl-5t-phenyl-4,5-dihydro-oxazol-4r-yl)-methanol 
• 25126-19-6 (1RS,2SR)-2-(2,2-dichloro-acetylamino)-1-phenyl-propane-1,3-diol 
• 102312-49-2 (2RS,3SR)-2-amino-3-chloro-3-phenyl-propan-1-ol 
• 3306-06-7 (+/-)-threo-2-amino-1-phenyl-1,3-propanediol 
• 28143-91-1 (1S,2S)-2-amino-1-phenyl-1,3-diol 
• 46032-98-8 (1R,2R)-2-amino-1-phenylpropane-1,3-diol 
• 101980-03-4 (2S,3S,8aR)-3-Hydroxymethyl-8a-methyl-2,6-diphenyl-hexahydro-oxazolo[3,2-a]pyridin-5-one 
• 3306-06-7 2-Amino-1-phenyl-propane-1,3-diol 
• 106214-22-6 (1RS,2SR)-3-acetoxy-2-acetylamino-1-chloro-1-phenyl-propane 
• 107520-51-4 (1RS,2RS)-3-benzoyloxy-2-(2,2-dichloro-acetylamino)-1-phenyl-propan-1-ol 
• 3313-19-7 (1RS,2RS)-2-acetylamino-1-phenyl-propane-1,3-diol 
• 119-62-0 (+/-)-threo-1-(4-nitro-phenyl)-2-amino-1,3-propanediol 

Relevant articles and documents

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Oxidant controlled regio- and stereodivergent azidohydroxylation of alkenes via I2 catalysis

A novel, I2 catalyzed regio- and stereodivergent vicinal azidohydroxylation of alkenes leading to 1,2-azidoalcohols in high yields (up to 92%) and excellent dr (up to 98%) has been developed. This unprecedented transformation employs NaN3 and DMF as N- and O-nucleophiles respectively. The role of DMF as the O-source in the reaction has been unequivocally proven by 18O labelling studies.

Stereoselectivity of an ω-transaminase-mediated amination of 1,3-dihydroxy-1-phenylpropane-2-one

The stereoselectivity of a recently isolated ω-transaminase from Chromobacterium violaceum in the amination of 1,3-dihydroxy-1-phenylpropan-2-one has been determined. The enzyme is not enantioselective towards a racemic mixture of 1,3-dihydroxy-1-phenylpr

Synthesis and biological evaluation of four stereoisomers of PDMP-analogue, N-(2-decylamino-3-hydroxy-3-phenylprop- 1-yl)-β-valienamine, and related compounds

All stereoisomers with regard to C-1 and 2 of 1-phenyl-2-decanoylamino-3-morpholino-1-propanol (PDMP) analogue containing unsaturated (β-valienamine) and saturated 5a-carba-β-D-glucopyranosylamine (β-validamine) residues in place of morpholine moiety were synthesized. Although PDMP is a potent and specific glucosylceramide synthase inhibitor, the former valienamine analogues (4a-d) have been shown to be strong glucocerebrosidase inhibitors (IC50 3-7 x10-7 M). The latter validamine analogues (5a-d) were also moderate glucocerebrosidase inhibitors (IC50 5-20 x 10-6 M). A series of compounds synthesized lacked an inhibitory potency against the glucosyltransferase at all. Whereas the analogue 6a composed of epimeric α-valienamine residue did not possess any potency against both enzymes.