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Benzene, 1-cyclopropyl-3-methyl-, also known as 1-Methyl-3-cyclopropylbenzene, is a chemical compound with the molecular formula C10H12. It is a derivative of benzene featuring a cyclopropyl group and a methyl group attached to the benzene ring. Benzene, 1-cyclopropyl-3-methylis known for its unique chemical structure and properties, which make it a valuable intermediate in the synthesis of various organic chemicals, pharmaceuticals, agrochemicals, and specialty chemicals. However, due to its potential adverse health effects and classification as a hazardous substance, it requires careful handling.

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  • 19714-73-9 Structure
  • Basic information

    1. Product Name: Benzene, 1-cyclopropyl-3-Methyl-
    2. Synonyms: Benzene, 1-cyclopropyl-3-Methyl-
    3. CAS NO:19714-73-9
    4. Molecular Formula: C10H12
    5. Molecular Weight: 132.20228
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 19714-73-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 198.2°C at 760 mmHg
    3. Flash Point: 64.3°C
    4. Appearance: /
    5. Density: 0.988g/cm3
    6. Vapor Pressure: 0.513mmHg at 25°C
    7. Refractive Index: 1.558
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: Benzene, 1-cyclopropyl-3-Methyl-(CAS DataBase Reference)
    11. NIST Chemistry Reference: Benzene, 1-cyclopropyl-3-Methyl-(19714-73-9)
    12. EPA Substance Registry System: Benzene, 1-cyclopropyl-3-Methyl-(19714-73-9)
  • 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: 19714-73-9(Hazardous Substances Data)

19714-73-9 Usage

Uses

Used in Pharmaceutical Industry:
Benzene, 1-cyclopropyl-3-methylis used as an intermediate in the synthesis of various pharmaceuticals for its unique chemical structure and properties. It contributes to the development of new drugs and medicines, enhancing the therapeutic options available.
Used in Agrochemical Industry:
In the agrochemical industry, Benzene, 1-cyclopropyl-3-methylserves as a building block for the production of various agrochemicals. Its unique structure allows for the creation of compounds that can be used in pest control, crop protection, and other agricultural applications.
Used in Specialty Chemicals Production:
Benzene, 1-cyclopropyl-3-methylis utilized in the production of specialty chemicals due to its distinctive chemical properties. These specialty chemicals can be used in a wide range of applications, including coatings, adhesives, and other industrial processes.
Used in Organic Chemicals Synthesis:
As an intermediate in the synthesis of organic chemicals, Benzene, 1-cyclopropyl-3-methylplays a crucial role in the creation of various compounds used in different industries. Its unique structure allows for the development of new organic chemicals with specific properties and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 19714-73-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,9,7,1 and 4 respectively; the second part has 2 digits, 7 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 19714-73:
(7*1)+(6*9)+(5*7)+(4*1)+(3*4)+(2*7)+(1*3)=129
129 % 10 = 9
So 19714-73-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H12/c1-8-3-2-4-10(7-8)9-5-6-9/h2-4,7,9H,5-6H2,1H3

19714-73-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Cyclopropyl-3-methylbenzene

1.2 Other means of identification

Product number -
Other names 1-Methyl-3-cyclopropyl-benzol

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:19714-73-9 SDS

19714-73-9Relevant articles and documents

Regioselective Metalation of Phenylcyclopropane and Smooth Addition of 1-Phenylcyclopropyl Potassium onto Ethylene

Schlosser, Manfred,Schneider, Philippe

, p. 2404 - 2410 (1980)

Whereas pentyl sodium in pentane mainly promotes a hydrogen/metal exchange reaction at the m- and p-position of phenylcyclopropane, both the butyllithium/potassium t-butoxide reagent and trimethylsilylmethyl potassium in tetrahydrofuran convert phenylcyclopropane exclusively into 1-phenylcyclopropyl potassium.The latter organometallic derivative adds smoothly onto the double bond of ethylene at temperatures around -40 deg.

Silylium-Ion-Promoted Ring-Opening Hydrosilylation and Disilylation of Unactivated Cyclopropanes

Bonetti, Vittorio,Klare, Hendrik F. T.,Oestreich, Martin,Roy, Avijit,Wang, Guoqiang,Wu, Qian

supporting information, (2020/02/04)

A silylium-ion-promoted ring-opening hydrosilylation of unactivated cyclopropanes is reported. The reaction is facilitated by the γ-silicon effect, and the regioselectivity is influenced by various stabilizing effects on the carbenium-ion intermediates, including the β-silicon effect. The experimental observations are in accord with the computed reaction mechanism. The work also showcases the ability of silylium ions to isomerize cyclopropyl to allyl groups, and the resulting α-olefins engage in a silylium-ion-mediated disilylation with hexamethyldisilane.

Lewis Base-Promoted Ring-Opening 1,3-Dioxygenation of Unactivated Cyclopropanes Using a Hypervalent Iodine Reagent

Gieuw, Matthew H.,Ke, Zhihai,Yeung, Ying-Yeung

supporting information, p. 3782 - 3786 (2018/03/13)

A facile and effective system has been developed for the regio- and chemoselective ring-opening/electrophilic functionalization of cyclopropanes through C?C bond activation by [bis(trifluoroacetoxy)iodo]benzene with the aid of the Lewis basic promoter p-toluenesulfonamide. The p-toluenesulfonamide-promoted system works well for a wide range of cyclopropanes, resulting in the formation of 1,3-diol products in good yields and regioselectivity.

Aminofluorination of Cyclopropanes: A Multifold Approach through a Common, Catalytically Generated Intermediate

Pitts, Cody Ross,Ling, Bill,Snyder, Joshua A.,Bragg, Arthur E.,Lectka, Thomas

supporting information, p. 6598 - 6609 (2016/06/09)

We have discovered a highly regioselective aminofluorination of cyclopropanes. Remarkably, four unique sets of conditions-two photochemical, two purely chemical-generated the same aminofluorinated adducts in good to excellent yields. The multiple, diverse ways in which the reaction could be initiated provided valuable clues that led to the proposal of a "unifying" chain propagation mechanism beyond initiation, tied by a common intermediate. In all, the proposed mechanism herein is substantiated by product distribution studies, kinetic analyses, LFERs, Rehm-Weller estimations of ΔGET, competition experiments, KIEs, fluorescence data, and DFT calculations. From a more physical standpoint, transient-absorption experiments have allowed direct spectroscopic observation of radical ion intermediates (previously only postulated or probed indirectly in photochemical fluorination systems) and, consequently, have provided kinetic support for chain propagation. Lastly, calculations suggest that solvent may play an important role in the cyclopropane ring-opening step.

IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS

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Page/Page column 19-20; 25; 26-27, (2015/05/06)

A process of converting a carbon-carbon multiple bond to a cyclopropane ring, comprising the addition of a N-alkyl-N-nitroso compound to a mixture of alkene precursor, aqueous base and Pd(II)-catalyst, with the N-alkyl-N-nitroso compound obtained directly from an alkyl amine derivative, NaNO2 and an acid via phase separation of the N-alkyl-N-nitroso compound from the aqueous phase.

Diels-Alder reactions for the construction of cyclopropylarenes

Arndt, Marion,Hilt, Gerhard,Khlebnikov, Alexander F.,Kozhushkov, Sergei I.,De Meijere, Armin

experimental part, p. 3112 - 3121 (2012/07/14)

The straightforward synthesis of new bicyclopropyl-substituted alkynes and 1,3-dienes and their application in cobalt-catalyzed Diels-Alder reactions are described. The cycloaddition processes generated the desired bicyclopropyl-substituted arene derivatives in moderate to good yields, depending on the steric congestion of the reaction partners. The regioselectivity of the cycloaddition was controlled by the ligand coordinated to the cobalt center. The cyclopropyl moiety remained unchanged over the course of the Diels-Alder reaction, indicating that no radical type intermediates were formed. Only in a single case did the DDQ oxidation of the primarily formed dihydroaromatic product lead to ring opening of a cyclopropyl subunit. In all of the other cases, cyclopropyl-modified arenes with various functionalities were obtained. Copyright

Indium-mediated, highly efficient cyclopropanation of olefins using CH 2I2 as methylene transfer reagent

Virender,Jain, Suman L.,Sain, Bir

, p. 37 - 38 (2007/10/03)

The indium-mediated, one-pot cyclopropanation of a variety of olefins with methylene iodide proceeds smoothly with excellent yields of products.

Aryl and vinyl cyclopropanes through the in situ generation of B- cyclopropyl-9-BBN and its Suzuki-Miyaura coupling

Soderquist, John A.,Huertas, Ramon,Leon-Colon, Gisela

, p. 4251 - 4255 (2007/10/03)

Dihydroboration of propargyl bromide with 9-BBN-H followed by treatment of the adduct with aqueous sodium hydroxide affords the hydroxy(cycloropropyl)borate complex (1), which undergoes efficient palladium-catalyzed cross-coupling to produce a variety of aryl and vinyl cyclopropanes (2) in good to excellent yields. (C) Elsevier Science Ltd.

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