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4-Isopropylphenylacetonitrile, an organic chemical compound with the molecular formula C11H13NO, is a colorless to pale yellow liquid characterized by a faint aromatic odor. It serves as a versatile intermediate in the synthesis of pharmaceuticals and other organic compounds, as well as a flavoring agent in the food industry. Recognized for its moderately hazardous nature, it necessitates adherence to proper safety precautions during handling and storage.

4395-87-3

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4395-87-3 Usage

Uses

Used in Pharmaceutical Industry:
4-Isopropylphenylacetonitrile is used as a chemical intermediate for the synthesis of various pharmaceuticals, contributing to the development of new drugs and enhancing the therapeutic potential of existing medications.
Used in Flavor and Fragrance Industry:
As a flavoring agent, 4-Isopropylphenylacetonitrile is employed to impart specific aromatic notes to food products, enriching their sensory profiles and enhancing consumer appeal.
Used in Organic Chemistry Research:
4-Isopropylphenylacetonitrile serves as a valuable compound in organic chemistry research, facilitating the exploration of novel synthetic pathways and the discovery of new chemical entities with potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 4395-87-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,3,9 and 5 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 4395-87:
(6*4)+(5*3)+(4*9)+(3*5)+(2*8)+(1*7)=113
113 % 10 = 3
So 4395-87-3 is a valid CAS Registry Number.
InChI:InChI=1/C11H13N/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,9H,7H2,1-2H3

4395-87-3 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (L10715)  4-Isopropylphenylacetonitrile, 98+%   

  • 4395-87-3

  • 1g

  • 250.0CNY

  • Detail
  • Alfa Aesar

  • (L10715)  4-Isopropylphenylacetonitrile, 98+%   

  • 4395-87-3

  • 5g

  • 1140.0CNY

  • Detail

4395-87-3SDS

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 4-ISOPROPYLPHENYLACETONITRILE

1.2 Other means of identification

Product number -
Other names 2-(4-Isopropylphenyl)acetonitrile

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:4395-87-3 SDS

4395-87-3Relevant academic research and scientific papers

INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS

-

Page/Page column 84, (2009/05/30)

There is provided according to the invention novel compounds of Formula (I) or pharmaceutically acceptable salts or solvates thereof: (I) useful as PPAR activators.

PREVENTIVE OR THERAPEUTIC AGENT FOR KIDNEY DISEASE

-

Page 32, (2008/06/13)

The present invention relates to an agent for the prevention or treatment of a renal disease comprising as an active ingredient a 5-amidino-2-hydroxybenzenesulfonamide derivative represented by the general formula: wherein R1 is a hydrogen atom or an optionally substituted alkyl group; R2 is a dialkylamino group, an alkyl group, a cycloalkyl group, an optionally substituted aryl group etc.; T is an oxygen atom, a sulfur atom etc.; Q is a hydrogen atom or an optionally substituted alkyl group; and Z is a hydrogen atom, a hydroxy group etc., or a pharmaceutically acceptable salt thereof which has an inhibitory effect on mesangial cell proliferation and a decreasing effect on protein excretion in urine, and are useful for preventing or treating of various renal diseases such as IgA nephropathy, diabetic nephropathy, nephritic syndrome and the like.

5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF

-

Page 18, (2010/02/07)

The present invention relates to a 5-amidino-2-hydroxybenzenesulfonamide derivative represented by the general formula: wherein R1 is an optionally substituted lower alkyl group, an optionally substituted lower alkoxy group, an optionally substituted lower alkenyl group, a cycloalkyl group or a lower acyl group etc.; Q is a hydrogen atom or an optionally substituted lower alkyl group; and Z is a hydrogen atom or a hydroxy group etc., or a pharmaceutically acceptable salt thereof, which exert a potent and selective activated blood coagulation factor X inhibitory activity and is useful as an agent for the prevention or treatment of a disease occurred associating an activated blood coagulation factor X, a pharmaceutical composition comprising the same and an intermediate thereof. These compounds are useful as preventives or remedies for various diseases such as brain infarction, cerebral thrombosis, cerebral embolism, TIA, cerebral vascular jerk, Alzheimer's diseases, myocardial infarction, heart attack, heart failure, thrombosis, pulmonary infarction and pulmonary embolism.

5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THEIR PREPARATION

-

, (2008/06/13)

The present invention relates to a 5-amidino-2-hydroxybenzenesulfonamide derivative represented by the general formula: wherein R1 is a hydrogen atom or an optionally substituted lower alkyl group; R2 is a di(lower alkyl)amino group,

Conformational analysis of some 5-substituted 5H-dibenzo[a,d]-cycloheptenes

Hjelmencrantz, Anders,Friberg, Annika,Berg, Ulf

, p. 1293 - 1300 (2007/10/03)

Conformations and inversion barriers of 5H-dibenzo[a,d]cycloheptene (1a), 5-amino-5H-dibenzo[a,d]cycloheptene (1b), 5-chloro-5H-dibenzo[a,d]cycloheptene (1e), 5-hydroxy-5H-dibenzo[a,d]cycloheptene (1d), 5-methyl-5H-dibenzo[a,d]cycloheptene (1f), N-benzyl-5H-dibenzo[a,d]cyclohepten-5-imine (2) and N-(5H-dibenzo[a,d]cyclohepten-5-yl)benzylideneamine (1c) have been studied by means of dynamic nuclear magnetic resonance spectroscopy (DNMR) techniques, and comparison of the experimentally derived thermodynamic parameters was made with MM3, PM3 and ab initio calculated results. Attempts to determine the inversion barrier of 3-isopropyl-5H-dibenzo[a,d]cyclohepten-5-one (3) failed.

Benzylimidazolines as h5-HT(1B/1D) serotonin receptor ligands: A structure-affinity investigation

Law, Ho,Dukat, Malgorzata,Teitler, Milt,Lee, David K. H.,Mazzocco, Lucia,Kamboj, Raj,Rampersad, Vik,Prisinzano, Thomas,Glennon, Richard A.

, p. 2243 - 2251 (2007/10/03)

Benzylimidazolines may represent a class of 5-HT(1D) ligands that has yet to be exploited. On the basis of a previous report that the 2- (substituted-benzyl)imidazoline α-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT(1D) receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents was removed and then reinstated in a systematic manner to determine the influence of the individual substituents on binding. It was found that all of the aromatic substituents of 8 act in concert to impart high affinity. However, although the 3-hydroxy group could be removed without significantly reducing affinity for h5-HT(1D) (i.e., human 5- HT(1Dα)) receptors, this modification reduced h5-HT(1B) (i.e., human 5- HT(1Dβ)) receptor affinity by nearly 50-fold. The 2,6-dimethyl groups also contribute to binding but seem to play a greater role for h5-HT(1B) binding than h5-HT(1D) binding. With the appropriate structural modifications, several compounds were identified that display 20- to > 100-fold selectivity for h5-HT(1D) versus h5-HT(1B) receptors. Preliminary functional data suggest that these compounds behave as agonists. Given that 5-HT(1D) agonists are currently being explored for their antimigraine action and that activation of h5-HT(1B) receptors might be associated with cardiovascular side effects, h5- HT(1D)selective agents may offer a new lead for the development of therapeutically efficacious agents.

Enzymes in organic synthesis 50. Probing the dimensions of the large hydrophobic binding region of the active site of pig liver esterase using substituted aryl malonate substrates

Toone,Jones

, p. 1041 - 1052 (2007/10/02)

The active side model reported recently for the synthetically useful enzyme pig liver esterase (PLE) permits the structural specificity and stereoselectivity of the enzyme to be interpreted and predicted for a wide range of substrates. The specifications

Perfume compositions as well as perfumed articles and materials containing alkyl substituted benzyl cyanides as a fragrance

-

, (2008/06/13)

Use of one or more alkyl substituted benzyl cyanides having the formula STR1 in which R1 and R2 each may represent a hydrogen atom or a methyl group and R3 represents a branched alkyl group having at most 6 carbon atoms as a perfume component in perfume compositions and in imparting perfume notes to articles for example soaps, cleaning preparations and cosmetic compositions.

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