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1-CHLORO-3-PHENYLPROPAN-2-OL is a chemical compound with the molecular formula C9H11ClO. It is a secondary alcohol with a chlorine atom attached to the first carbon atom in the molecule. 1-CHLORO-3-PHENYLPROPAN-2-OL also contains a phenyl group, which is a six-membered aromatic ring. This chemical is commonly used as an intermediate in the synthesis of pharmaceutical compounds and can also be used as a chiral building block in organic synthesis.

5396-65-6

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5396-65-6 Usage

Uses

Used in Pharmaceutical Industry:
1-CHLORO-3-PHENYLPROPAN-2-OL is used as an intermediate in the synthesis of pharmaceutical compounds for its ability to be incorporated into various drug structures.
Used in Organic Synthesis:
1-CHLORO-3-PHENYLPROPAN-2-OL is used as a chiral building block in organic synthesis for its potential to create enantiomerically pure compounds.
Used in Drug Production:
1-CHLORO-3-PHENYLPROPAN-2-OL is used in the production of various drugs and pharmaceutical products due to its versatility in chemical reactions and potential for creating new therapeutic agents.
Used in Biological Research:
1-CHLORO-3-PHENYLPROPAN-2-OL is studied for its potential biological activities, including its potential as an anti-inflammatory and analgesic agent, for its possible applications in the development of new medications.

Check Digit Verification of cas no

The CAS Registry Mumber 5396-65-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,9 and 6 respectively; the second part has 2 digits, 6 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 5396-65:
(6*5)+(5*3)+(4*9)+(3*6)+(2*6)+(1*5)=116
116 % 10 = 6
So 5396-65-6 is a valid CAS Registry Number.
InChI:InChI=1/C9H11ClO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2

5396-65-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-chloro-3-phenylpropan-2-ol

1.2 Other means of identification

Product number -
Other names Benzeneethanol,a-(chloromethyl)

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5396-65-6 SDS

5396-65-6Relevant academic research and scientific papers

O-(tert-butyl) Se-phenyl selenocarbonate: A convenient, bench-stable and metal-free precursor of benzeneselenol

Temperini, Andrea,Siciliano, Carlo

, (2020/06/17)

A study by our laboratory shows that air, light and moisture stable O-(tert-butyl) Se-phenyl selenocarbonate could be employed as a safer, practical and efficient alternative to generate “in situ” benzeneselenol or benzeneselenolate anion under different and transition metal-free conditions. This procedure seems to be of general application since the nucleophilic selenium species obtained can be trapped by electrophiles such as alkyl halides, epoxides and electron-deficient alkenes and alkynes under different reaction conditions.

Biphasic Bioelectrocatalytic Synthesis of Chiral β-Hydroxy Nitriles

Dong, Fangyuan,Chen, Hui,Malapit, Christian A.,Prater, Matthew B.,Li, Min,Yuan, Mengwei,Lim, Koun,Minteer, Shelley D.

supporting information, p. 8374 - 8382 (2020/05/22)

Two obstacles limit the application of oxidoreductase-based asymmetric synthesis. One is the consumption of high stoichiometric amounts of reduced cofactor. The other is the low solubility of organic substrates, intermediates, and products in the aqueous phase. In order to address these two obstacles to oxidoreductase-based asymmetric synthesis, a biphasic bioelectrocatalytic system was constructed and applied. In this study, the preparation of chiral β-hydroxy nitriles catalyzed by alcohol dehydrogenase (AdhS) and halohydrin dehalogenase (HHDH) was investigated as a model bioelectrosynthesis, since they are high-value intermediates in statin synthesis. Diaphorase (DH) was immobilized by a cobaltocene-modified poly(allylamine) redox polymer on the electrode surface (DH/Cc-PAA bioelectrode) to achieve effective bioelectrocatalytic NADH regeneration. Since AdhS is a NAD-dependent dehydrogenase, the diaphorase-modified biocathode was used to regenerate NADH to support the conversion from ethyl 4-chloroacetoacetate (COBE) to ethyl (S)-4-chloro-3-hydroxybutanoate ((S)-CHBE) catalyzed by AdhS. The addition of methyl tert-butyl ether (MTBE) as an organic phase not only increased the uploading of COBE but also prevented the spontaneous hydrolysis of COBE, extended the lifetime of DH/Cc-PAA bioelectrode, and increased the Faradaic efficiency and the concentration of generated (R)-ethyl-4-cyano-3-hydroxybutyrate ((R)-CHCN). After 10 h of reaction, the highest concentration of (R)-CHCN in the biphasic bioelectrocatalytic system was 25.5 mM with 81.2% enantiomeric excess (eep). The conversion ratio of COBE achieved 85%, which was 8.8 times higher than that achieved with the single-phase system. Besides COBE, two other substrates with aromatic ring structures were also used in this biphasic bioelectrocatalytic system to prepare the corresponding chiral β-hydroxy nitriles. The results indicate that the biphasic bioelectrocatalytic system has the potential to produce a variety of β-hydroxy nitriles with different structures.

Synthesis of Vicinal Dichlorides via Activation of Aliphatic Terminal Epoxides with Triphosgene and Pyridine

Cleveland, Alexander H.,Fronczek, Frank R.,Kartika, Rendy

, p. 3367 - 3377 (2018/03/26)

Herein we report a novel synthetic reaction to convert unactivated terminal aliphatic epoxide to alkyl vicinal dichloride based on triphosgene-pyridine activation. Our methodology is operationally simple and readily tolerated by a broad of scope of substrates as well as protecting groups. Furthermore, these mild conditions generally yield clean reaction mixtures that are free of byproducts upon aqueous workup.

AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C

-

Page/Page column 232, (2014/04/17)

The present invention provides a compound of formula (I) or a salt thereof, wherein R7, R8, R9, G, and X are as defined herein. A compound of formula (I) and its salts have a PKC inhibitory activity, and may be used to treat proliferative disorders.

Regioselective conversion of unsymmetrical terminal epoxides into vicinal chlorohydrins using dimethoxyboron chloride

Roy, Chandra D.

, p. 834 - 836 (2007/10/03)

A highly regioselective synthesis of chlorohydrins by chlorinative cleavage of unsymmetrical epoxides utilizing dimethoxyboron chloride is described. Except for styrene oxide, all the terminal epoxides were regioselectively cleaved following a predominantly SN2-type reaction pathway favouring the formation of primary chlorides. In the case of styrene oxide, a benzylic epoxide, (MeO)2BCl transfers the chlorine at the benzylic position, by following an apparent SN1-type mechanism. CSIRO 2006.

1,2-Ferrocenediylazaphosphinines 2: A new class of nucleophilic catalysts for ring-opening of epoxides

Paek, Seung Hwan,Shim, Sang Chul,Cho, Chan Sik,Kim, Tae-Jeong

, p. 849 - 851 (2007/10/03)

1,2-Ferrocenediylazaphosphinines (1a-c) have been successfully employed as a new class of nucleophilic catalysts for ring-opening of a range of epoxides, their catalytic efficiency in terms of regioselectivity as well as chemical yield comparing well with the existing catalysts in the literature. In contrast, low enantiomeric excesses have been obtained from the reactions of meso-epoxides catalyzed by (R)-1.

Demonstration of a phosphazirconocene as a catalyst for the ring opening of epoxides with TMSCI

Wang, Li-Sheng,Hollis, T. Keith

, p. 2543 - 2545 (2007/10/03)

(Matrix presented) In this study, it was demonstrated for the first time that a phosphazirconocene catalyzes the ring opening of epoxides with TMSCI. This reactivity leads to a facile preparation of chlorohydrins. The late transition metal Fe analogue was found to catalyze the reaction at rates and stereoselectivity comparable to those of the Zr complex.

Novel ring-opening of epoxides and oxetanes with POCl3 or PCl3 in the presence of DMAP

Sartillo-Piscil, Fernando,Quintero, Leticia,Villegas, Clarisa,Santacruz-Juárez, Ericka,Anaya De Parrodi, Cecilia

, p. 15 - 17 (2007/10/03)

Efficient synthesis of chlorohydrins by cleavage of oxiranes and oxetanes using POCl3 or PCl3 in the presence of DMAP (4-N,N-dimethylaminopyridine) has been studied.

Bis-chlorodibutyltin oxide as a new reagent for a mild, versatile and regioselective ring-opening of epoxides

Salomon

, p. 65 - 68 (2007/10/03)

A convenient and efficient procedure for the ring-opening of epoxides by means of alcohols and bis-chlorodibutyltin oxide is described. The cleavage of the oxiranes is found to proceed regioselectively under mild reaction conditions. Thus, several haloalkanols, useful intermediates toward biological active molecules, are easily obtained in very good yields.

Palladium- and light-enhanced ring-opening of oxiranes by copper chloride

Muzart, Jacques,Riahi, Abdelkhalek

, p. 323 - 336 (2007/10/02)

The yields of chlorohydrins formed by cleavage of epoxides by CuCl2 is increased in the presence of small amounts of PdCl2(MeCN)2.The conversion drops dramatically on carrying out the reaction in the dark.The regiochemistry of the ring-opening is sensitive to the nature of the substituents.

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