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(S)-4-(2-METHYL-BUTOXY)-PHENYLAMINE, with the molecular formula C13H20NO, is an amine compound characterized by a phenyl group connected to an (S)-4-(2-methyl-butoxy) side chain. This chiral organic compound is utilized in the synthesis of pharmaceuticals and other organic compounds, with its specific properties and applications varying according to the context in which it is employed.

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  • 112418-54-9 Structure
  • Basic information

    1. Product Name: (S)-4-(2-METHYL-BUTOXY)-PHENYLAMINE
    2. Synonyms: (S)-4-(2-METHYL-BUTOXY)-PHENYLAMINE
    3. CAS NO:112418-54-9
    4. Molecular Formula: C11H17NO
    5. Molecular Weight: 179.26
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 112418-54-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 287.7±13.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 0.984±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 5.24±0.10(Predicted)
    10. CAS DataBase Reference: (S)-4-(2-METHYL-BUTOXY)-PHENYLAMINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: (S)-4-(2-METHYL-BUTOXY)-PHENYLAMINE(112418-54-9)
    12. EPA Substance Registry System: (S)-4-(2-METHYL-BUTOXY)-PHENYLAMINE(112418-54-9)
  • 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: 112418-54-9(Hazardous Substances Data)

112418-54-9 Usage

Uses

Used in Pharmaceutical Industry:
(S)-4-(2-METHYL-BUTOXY)-PHENYLAMINE is used as a synthetic intermediate for the development of various pharmaceuticals. Its unique structure allows it to be a key component in the creation of new drugs, potentially contributing to the advancement of medicinal chemistry.
Used in Organic Synthesis:
In the field of organic chemistry, (S)-4-(2-METHYL-BUTOXY)-PHENYLAMINE serves as a versatile building block for the synthesis of a range of organic compounds. Its reactivity and functional groups enable it to participate in various chemical reactions, facilitating the production of complex molecules for different applications.

Check Digit Verification of cas no

The CAS Registry Mumber 112418-54-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,4,1 and 8 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 112418-54:
(8*1)+(7*1)+(6*2)+(5*4)+(4*1)+(3*8)+(2*5)+(1*4)=89
89 % 10 = 9
So 112418-54-9 is a valid CAS Registry Number.

112418-54-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(2-methylbutoxy)aniline

1.2 Other means of identification

Product number -
Other names (S)-4-(2-METHYL-BUTOXY)-PHENYLAMINE

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:112418-54-9 SDS

112418-54-9Relevant articles and documents

Effect of fluorocarbon chains on the mesomorphic properties of chiral imines and their complexes with copper(II)

Ocak, Hale,Bilgin-Eran, Belkiz,Tschierske, Carsten,Baumeister, Ute,Pelzl, Gerhard

scheme or table, p. 6995 - 7001 (2010/05/18)

The synthesis and mesomorphism of new chiral imine compounds incorporating a fluorocarbon chain which have calamitic molecular shape and their complexes with copper(II) are reported. The liquid crystalline properties were investigated using polarised optical microscopy, differential scanning calorimetry and X-ray diffraction. Imine compounds with a semifluorinated chain and a short chiral chain show chiral smectic mesophases with dramatically enhanced mesophase stabilities compared to the related hydrocarbon derivatives. In addition, the first examples of mesogenic chiral salicylaldiminate copper(II) complexes carrying semifluorinated alkyl chains at their peripheries have been synthesized and their liquid crystalline properties were investigated.

Disc-like chiral palladium and platinum complexes: Synthesis and mesomorphic properties

Eran, Belkiz Bilgin,Singer, Dirk,Praefcke, Klaus

, p. 111 - 116 (2007/10/03)

ortho-Palladated and -platinated benzalimines are a widely studied novel type of liquid-crystals. These sheet-shaped materials contain two or even four metal atoms and carry eight and twelve flexible side-chains, respectively. Here we present the preparation and mesomorphic properties of dinuclear chiral homologues of such sheet-like compounds. On their own, the chiral members of the dinuclear cyclopalladated series exhibit no liquid-crystalline properties, but show mesophase inductions (Colh-phase) in mixtures with an electron-acceptor, e.g.,2,4,7-trinitroflourenone (TNF). A diplatinated chiral analogue, however, monotropically exhibits the cholesteric nematic discotic (ND/*) type of mesophase. Mixtures of this platinum nematogen with TNF also show the induction of a columnar mesophase (Colh) due to charge-transfer interactions.

The Preparation and Thermal Properties of Terminal Disubstituted N-(4-Benzoyloxybenzylidene)anilines

Takenaka, Shunsuke,Ikemoto, Tetsuya,Kusabayashi, Shigekazu

, p. 3965 - 3966 (2007/10/02)

The homologous series of N--4-(2-methylbutoxy)aniline (1), and N-benzylidene>-4-n-alkoxyaniline (2), and N--4-(2-methylbutoxy)aniline (3) where the 2-methylbutoxyl group has an S-configuration, have been prepared.Series 1 and 2 form a chiral smectic C (S*C) phase in addition to a cholesteric (Ch) and a chiral smectic G (S*G) phases, and series 3 form (S*C) and Ch phases.

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