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220654-86-4

2-Propenoic acid, 2-methyl-3-[4-(trifluoromethyl)phenyl]-, methyl ester, (2E)- is a complex organic compound with the chemical formula C12H11F3O2. It is a derivative of 2-propenoic acid, featuring a 2-methyl-3-[4-(trifluoromethyl)phenyl] substitution pattern and a methyl ester functional group. The compound is characterized by its (2E)- configuration, indicating the presence of a double bond with E (entgegen) geometry. This molecule is likely to be found in specialized chemical or pharmaceutical applications due to its unique structure and properties.

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  • 220654-86-4 Structure

  • Basic information

    1. Product Name: 2-Propenoic acid, 2-methyl-3-[4-(trifluoromethyl)phenyl]-, methyl ester, (2E)-
    2. Synonyms:
    3. CAS NO:220654-86-4
    4. Molecular Formula: C12H11F3O2
    5. Molecular Weight: 244.213
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 220654-86-4.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: 2-Propenoic acid, 2-methyl-3-[4-(trifluoromethyl)phenyl]-, methyl ester, (2E)-(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-Propenoic acid, 2-methyl-3-[4-(trifluoromethyl)phenyl]-, methyl ester, (2E)-(220654-86-4)
    11. EPA Substance Registry System: 2-Propenoic acid, 2-methyl-3-[4-(trifluoromethyl)phenyl]-, methyl ester, (2E)-(220654-86-4)

  • 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: 220654-86-4(Hazardous Substances Data)

220654-86-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 220654-86-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,0,6,5 and 4 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 220654-86:
(8*2)+(7*2)+(6*0)+(5*6)+(4*5)+(3*4)+(2*8)+(1*6)=114
114 % 10 = 4
So 220654-86-4 is a valid CAS Registry Number.

220654-86-4Relevant articles and documents

Control of Chemo-, Regio-, and Enantioselectivity in Copper Hydride Reductions of Morita-Baylis-Hillman Adducts

Linstadt, Roscoe T. H.,Peterson, Carl. A.,Jette, Carina I.,Boskovic, Zarko V.,Lipshutz, Bruce H.

supporting information, p. 328 - 331 (2017/04/21)

Nonracemically ligated copper hydride can be used to effect tandem SN2′/1,2-reductions of racemic Morita-Baylis-Hillman (MBH) acetates to access enantioenriched chiral allylic alcohols with defined olefin geometry. MBH esters, including those w

Pd-catalyzed sequential C-C bond formation and cleavage: Evidence for an unexpected generation of arylpalladium(II) species

Youn, So Won,Kim, Byung Seok,Jagdale, Arun R.

supporting information; experimental part, p. 11308 - 11311 (2012/08/28)

A Pd(II)-catalyzed reaction engaging alkenyl β-keto esters is reported that leads to the formation of 1-naphthols and an unexpected generation of arylpalladium(II) species. Interception of the in situ generated arylpalladium(II) species in a Mizoroki-Heck reaction, together with additional mechanistic studies, provided strong evidence in support of the first aromatization-driven β-carbon elimination process. A single Pd catalyst served to promote a series of both C-C bond forming and cleavage events in an unprecedented manner.

Stereoelectronic and solvent effects on the allylic oxyfunctionalization of alkenes with singlet oxygen

Alberti, Mariza N.,Orfanopoulos, Michael

, p. 10660 - 10675 (2007/10/03)

The factors that control the stereochemistry of sensitized photooxygenation of alkenes via singlet oxygen (ene reaction) are selectively reported. We also introduce our most recent stereoelectronic effects on the singlet oxygen-ene reaction. The origin of

Control of regioselectivity by the lone substituent through steric and electronic effects in the nitrosoarene ene reaction of deuterium-labeled trisubstituted alkenes

Adam, Waldemar,Krebs, Oliver,Orfanopoulos, Michael,Stratakis, Manolis

, p. 8395 - 8399 (2007/10/03)

For the ene reaction of 4-nitronitrosobenzene (ARNO) with a variety of primary and secondary lone alkyl-substituted substrates, the twix/twin regioselectivity is constant at about 85:15. In contrast, for the lone tert-butyl group and for lone aryl substituents, the twix regioisomer is obtained exclusively. These regioselectivities have been rationalized in terms of steric interactions and coordination between the enophile and the substrates in the transition states of the first reaction step.

Anthranilic acid analogs

-

, (2008/06/13)

Compounds of the formula: STR1 wherein: R1, R2, R3, R4, R5, R6, R7 and R8 are, independently, hydrogen, COOR15, halogen, nitro, cyano, C1-10 alkoxy, C1-10 haloalkoxy, sulfonic acid, C1-10 alkylsulfonyl, C6-12 arylsulfonyl, C6-12 aralkylsulfonyl, C1-10 alk

Anthranilic acid analogs

-

, (2008/06/13)

Compounds of the formula: wherein: PA0 R1, R2, R3, R4,R5, R6, R7 and R8 are, independently, hydrogen, COOR15, halogen, nitro, cyano, C1-10 alkoxy, C1-10 haloalkoxy, sulfonic acid, C1-10 alkylsulfonyl, C6-12 arylsulfonyl, C6-12 aralkylsulfonyl, C1-10 alkyl

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