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Benzene, 1-(1-methylethenyl)-4-nitro-, also known as 4-nitro-1-isopropenylbenzene, is an organic compound with the chemical formula C10H11NO2. It is a derivative of benzene, featuring a nitro group at the 4-position and an isopropenyl group (CH2=C(CH3)-) at the 1-position. This yellowish liquid is used as an intermediate in the synthesis of various chemicals, including pharmaceuticals and dyes. It is characterized by its distinct chemical structure, which contributes to its reactivity and potential applications in the chemical industry.

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  • 1830-68-8 Structure
  • Basic information

    1. Product Name: Benzene, 1-(1-methylethenyl)-4-nitro-
    2. Synonyms:
    3. CAS NO:1830-68-8
    4. Molecular Formula: C9H9NO2
    5. Molecular Weight: 163.176
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1830-68-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzene, 1-(1-methylethenyl)-4-nitro-(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzene, 1-(1-methylethenyl)-4-nitro-(1830-68-8)
    11. EPA Substance Registry System: Benzene, 1-(1-methylethenyl)-4-nitro-(1830-68-8)
  • 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: 1830-68-8(Hazardous Substances Data)

1830-68-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1830-68-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,8,3 and 0 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1830-68:
(6*1)+(5*8)+(4*3)+(3*0)+(2*6)+(1*8)=78
78 % 10 = 8
So 1830-68-8 is a valid CAS Registry Number.

1830-68-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-nitro-4-prop-1-en-2-ylbenzene

1.2 Other means of identification

Product number -
Other names 1-Isopropenyl-4-nitro-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:1830-68-8 SDS

1830-68-8Relevant articles and documents

The kinetics and mechanism of the reaction of p-nitrocumyl bromide with nitrite ions in dimethyl sulfoxide. Evidence for a non-chain reaction giving a high nitro/nitrite ratio in the product

Paine, Stuart W.,Ridd, John H.

, p. 2577 - 2581 (1996)

The reaction of p-nitrocumyl bromide (RBr) with sodium nitrite in [2H6]dimethyl sulfoxide gives none of the conventional evidence for an SRN1 chain reaction but the initial values of the [RNO2]/[RONO] ratio (2.5

A facile preparation of dialkyl phosphonate compounds from sterically hindered p-nitrocumyl halides through the S(RN)1 mechanism

Rhee, Jong Uk,Russell, Glen A.,Baik, Woonphil

, p. 8601 - 8604 (1998)

p-Nitrobenzyl phosphonate anion with p-nitrocumyl halides gives a good yield of the coupling product dialkyl[(1,1-dimethyl-1,2-di-(p- nitrobenzyl)ethyl] phosphonates through the S(RN)1 mechanism. The reaction was greatly accelerated by sunlamp irradiation but inhibited by the radical scavenger (t-Bu)2NO..

METHOD FOR OXIDATIVE CLEAVAGE OF COMPOUNDS WITH UNSATURATED DOUBLE BOND

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Paragraph 0027-0029, (2021/07/10)

A method for oxidative cleavage of a compound with an unsaturated double bond is provided. The method includes the steps of: (A) providing a compound (I) with an unsaturated double bond, a trifluoromethyl-containing reagent, and a catalyst; wherein, the catalyst is represented by Formula (II): M(O)mL1yL2z??(II);wherein, M, L1, L2, m, y, z, R1, R2 and R3 are defined in the specification; and(B) mixing the compound with an unsaturated double bond and the trifluoromethyl-containing reagent to perform an oxidative cleavage of the compound with the unsaturated double bond by using the catalyst in air or under oxygen atmosphere condition to obtain a compound represented by Formula (III):

Method for oxidative cracking of compound containing unsaturated double bonds

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Paragraph 0038-0043, (2021/07/09)

The invention relates to a method for oxidative cracking of a compound containing unsaturated double bonds. The method comprises the following steps: (A) providing a compound (I) containing unsaturated double bonds, a trifluoromethyl-containing reagent and a catalyst, wherein the catalyst is shown as a formula (II): M(O)mL1yL2z (II), M, L1, L2, m, y, z, R1, R2 and R3 being defined in the specification; and (B) mixing the compound containing the unsaturated double bonds and the trifluoromethyl-containing reagent, and performing an oxidative cracking reaction on the compound containing the unsaturated double bonds in the presence of air or oxygen by using the catalyst to obtain a compound represented by formula (III),.

METHOD FOR OXIDATIVE CLEAVAGE OF COMPOUNDS WITH UNSATURATED DOUBLE BOND

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Paragraph 0024-0025, (2021/03/19)

A method for oxidative cleavage of a compound with an unsaturated double bond is provided. The method comprises the following step: (A) providing a compound (I) with an unsaturated double bond, a reagent with trifluoromethyl, and a catalyst; wherein the catalyst is represented by the following formula (II): M(O)mL1yL2z (II); wherein, M, L1, L2, m, y, z, R1, R2 and R3 are defined in the specification; and (B) mixing the compound with an unsaturated double bond and the reagent with a trifluoromethyl to perform an oxidation of the compound with the unsaturated double bond by using the catalyst at air or an oxygen condition to get a compound presented as formula (III):

Synthesis of N-Alkylpyridin-4-ones and Thiazolo[3,2- a]pyridin-5-ones through Pummerer-Type Reactions

Huang, Jingjia,Hu, Gang,An, Shaoyu,Chen, Dongding,Li, Minglei,Li, Pingfan

, p. 9758 - 9769 (2019/08/08)

N-Alkylated 4-pyridones were obtained through a one-pot procedure involving either normal or interrupted Pummerer reactions between triflic anhydride-activated sulfoxides and 4-fluoropyridine derivatives, followed by hydrolysis. On the other hand, triflic anhydride-activated benzyl 6-fluoro-2-pyridyl sulfoxide could react with alkenes or alkynes to afford thiazolo[3,2-a]pyridin-5-ones, via the pyridinium salt intermediates.

Palladium/Acid Relay Catalyzed Tandem Heck Coupling/6-Endo Cyclization between ortho-Halogenated Benzoates and Unactivated Terminal Alkenes for the Synthesis of 1-Isochromanones

Wen, Zhen-Kang,Ge, Xiao-Min,Zhao, Ze-Kai,Chao, Jian-Bin

supporting information, p. 983 - 988 (2019/01/30)

We report a unique and expeditious route to synthesize 1-isochromanone derivatives through palladium catalyzed tandem Heck coupling/6-endo hydroacyloxylation cyclization between readily available ortho-halogenated benzoates and unactivated alkenes. Various 2-bromo or 2-iodo benzoates can be coupled efficiently with a broad range of alkenes to afford functionalized 1-isochromanones in high yields. Significantly, this cost-efficient and easy-to-handle synthetic methodology will have great prospect application in the synthetic and medicinal chemistry. (Figure presented.).

Catalytic Geminal Difluorination of Styrenes for the Construction of Fluorine-rich Bioisosteres

Scheidt, Felix,Neufeld, Jessica,Sch?fer, Michael,Thiehoff, Christian,Gilmour, Ryan

supporting information, p. 8073 - 8076 (2019/01/04)

A geminal difluorination of alkenes based on I(I)/I(III) catalysis is disclosed, which is compatible with a range of electronically and substitutionally diverse styrenes (27 examples, up to 89% yield). Employing inexpensive p-TolI as the organocatalyst, turnover is enabled by Selectfluor-mediated oxidation to generate the ArIF2 species in situ. Extension to include α-substituted styrenes bearing fluorine-containing groups is disclosed and provides an expansive platform for the generation of fluorine-rich architectures.

Iridium-Catalyzed Isomerization of N-Sulfonyl Aziridines to Allyl Amines

Cabré, Albert,Sciortino, Giuseppe,Ujaque, Gregori,Verdaguer, Xavier,Lledós, Agustí,Riera, Antoni

supporting information, p. 5747 - 5751 (2018/09/21)

The Crabtree's reagent catalyzes the isomerization of N-sulfonyl 2,2-disubstituted aziridines to allyl amines. The selectivity of allyl amine vs imine is very high (up to 99/1). The unprecedented isomerization takes place in mild conditions without activation of the catalyst by hydrogen. The mechanism has been studied computationally by DFT calculations; instead of the usual hydrogenation of COD, the catalytic species is formed by a loss of the pyridine ligand. Approaching of aziridine to this unsaturated species leads to a carbocation intermediate through a low energy barrier. A metal-mediated tautomerization involving sequentially γ-H elimination and N-H reductive elimination affords selectively the allyl amine. The readiness of the CγH bond to participate in the H elimination step accounts for the selectivity toward the allyl amine product.

METHODS OF PROMOTING BETA CELL PROLIFERATION

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Paragraph 00202, (2018/06/30)

The present disclosure provides methods of promoting proliferation of a pancreatic cell. The methods are useful for the treatment of diabetes and other diseases characterized by impaired glucose tolerance.

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