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534599-18-3

1(2H)-Naphthalenone,3,4-dihydro-3-(hydroxymethyl)-,(3R)-(9CI) is a chemical compound belonging to the naphthalenone class. It has a molecular formula of C11H12O2 and a molecular weight of 176.21 g/mol. Derived from 1(2H)-Naphthalenone, commonly found in coal tar and tobacco smoke, 1(2H)-Naphthalenone,3,4-dihydro-3-(hydroxymethyl)-,(3R)-(9CI) features a specific stereochemistry denoted by (3R)-(9CI), which refers to the arrangement of atoms in space. The hydroxymethyl group attached to the third carbon of the molecule endows it with unique chemical properties, making it a compound of interest in various industries such as pharmaceuticals, agrochemicals, and materials science. Further research is necessary to fully understand its potential applications.

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  • 534599-18-3 Structure

  • Basic information

    1. Product Name: 1(2H)-Naphthalenone,3,4-dihydro-3-(hydroxymethyl)-,(3R)-(9CI)
    2. Synonyms: 1(2H)-Naphthalenone,3,4-dihydro-3-(hydroxymethyl)-,(3R)-(9CI)
    3. CAS NO:534599-18-3
    4. Molecular Formula: C11H12O2
    5. Molecular Weight: 176.21
    6. EINECS: N/A
    7. Product Categories: CYCLOHEXANE
    8. Mol File: 534599-18-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1(2H)-Naphthalenone,3,4-dihydro-3-(hydroxymethyl)-,(3R)-(9CI)(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1(2H)-Naphthalenone,3,4-dihydro-3-(hydroxymethyl)-,(3R)-(9CI)(534599-18-3)
    11. EPA Substance Registry System: 1(2H)-Naphthalenone,3,4-dihydro-3-(hydroxymethyl)-,(3R)-(9CI)(534599-18-3)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 534599-18-3(Hazardous Substances Data)

534599-18-3 Usage

Uses

Used in Pharmaceutical Industry:
1(2H)-Naphthalenone,3,4-dihydro-3-(hydroxymethyl)-,(3R)-(9CI) is used as a key intermediate for the synthesis of various pharmaceutical compounds due to its unique chemical structure and properties.
Used in Agrochemical Industry:
In the agrochemical industry, 1(2H)-Naphthalenone,3,4-dihydro-3-(hydroxymethyl)-,(3R)-(9CI) is used as a building block for the development of novel agrochemicals, potentially enhancing crop protection and yield.
Used in Materials Science:
1(2H)-Naphthalenone,3,4-dihydro-3-(hydroxymethyl)-,(3R)-(9CI) is utilized in materials science for the creation of new materials with specific properties, such as improved stability or reactivity, due to its distinctive molecular structure.

Check Digit Verification of cas no

The CAS Registry Mumber 534599-18-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,3,4,5,9 and 9 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 534599-18:
(8*5)+(7*3)+(6*4)+(5*5)+(4*9)+(3*9)+(2*1)+(1*8)=183
183 % 10 = 3
So 534599-18-3 is a valid CAS Registry Number.

534599-18-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (R)-(-)-3-hydroxymethyl-1,2,3,4-tetrahydronaphthalen-1-one

1.2 Other means of identification

Product number -
Other names (R)-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-one

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:534599-18-3 SDS

534599-18-3Relevant articles and documents

Chemoenzymatic synthesis and binding affinity of novel (R)- and (S)-3-aminomethyl-1-tetralones, potential atypical antipsychotics

Caro, Yolanda,Torrado, Maria,Masaguer, Christian F.,Ravina, Enrique,Padin, Fernando,Brea, Jose,Loza, Maria I.

, p. 585 - 589 (2007/10/03)

A series of (R)- and (S)-3-aminomethyl-1-tetralones, conformationally constrained analogues of haloperidol, have been obtained by enzymatic resolution of the corresponding racemic 3-hydroxymethyl-1-tetralones using Pseudomonas fluorescens lipase. Their bi

Preparation of (R)-(-)- and (S)-(+)-3-hydroxymethyl-1-tetralone tosylates, key intermediates in the synthesis of new CNS drugs, via resolution of precursors

Caro, Yolanda,Masaguer, Christian F.,Ravina, Enrique

, p. 381 - 387 (2007/10/03)

The preparation of (R)-(-)- and (S)-(+)-3-hydroxymethyl-1-tetralone tosylates, key intermediates in the synthesis of new CNS drugs in the aminobutyrophenone family, has been developed via classical resolutions or lipase-catalyzed kinetic resolution of one of their precursors.

Kinetic resolution of 3-hydroxymethylbenzocycloalkanols by selective asymmetric hydrogen-transfer oxidation

Caro, Yolanda,Torrado, Maria,Masaguer, Christian F.,Ravina, Enrique

, p. 3689 - 3696 (2007/10/03)

Kinetic resolution of 3-hydroxymethylbenzocycloalkanols was performed by selective asymmetric hydrogen-transfer oxidation using the Ru(II)-(S,S)-TsDPEN catalyst. Thus, several 3-hydroxymethyl-1-tetralols 7a-d afforded (1R,3R)-3-hydroxymethyl-1-tetralols (

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