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Benzenebutanoyl chloride, 4-Methyl- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 160699-02-5 Structure
  • Basic information

    1. Product Name: Benzenebutanoyl chloride, 4-Methyl-
    2. Synonyms: Benzenebutanoyl chloride, 4-Methyl-;4-(4-methylphenyl)butanoyl chloride
    3. CAS NO:160699-02-5
    4. Molecular Formula: C11H13ClO
    5. Molecular Weight: 196.67332
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 160699-02-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 282.4±19.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.092±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzenebutanoyl chloride, 4-Methyl-(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzenebutanoyl chloride, 4-Methyl-(160699-02-5)
    11. EPA Substance Registry System: Benzenebutanoyl chloride, 4-Methyl-(160699-02-5)
  • 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: 160699-02-5(Hazardous Substances Data)

160699-02-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 160699-02-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,0,6,9 and 9 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 160699-02:
(8*1)+(7*6)+(6*0)+(5*6)+(4*9)+(3*9)+(2*0)+(1*2)=145
145 % 10 = 5
So 160699-02-5 is a valid CAS Registry Number.

160699-02-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(4-methylphenyl)butanoyl chloride

1.2 Other means of identification

Product number -
Other names 4-(4-methylphenyl)butyryl chloride

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:160699-02-5 SDS

160699-02-5Relevant articles and documents

Enantioselective Remote C(sp3)-H Cyanation via Dual Photoredox and Copper Catalysis

Chen, Hui,Jin, Weiwei,Yu, Shouyun

supporting information, p. 5910 - 5914 (2020/08/12)

The remote C(sp3)-H cyanation of carboxamides has been described by merging photoredox and copper catalysis in a site-selective and enantiocontrolled manner. The protocol is the integration of photoinduced and nitrogen-centered radical-mediated intermolecular hydrogen atom transfer with chiral copper-complex-catalyzed radical cyanation. This strategy gives enantio-enriched cyanated amides in high yields.

Ruthenium(II)-Catalyzed Enantioselective ?-Lactams Formation by Intramolecular C-H Amidation of 1,4,2-Dioxazol-5-Ones

Xing, Qi,Chan, Chun-Ming,Yeung, Yiu-Wai,Yu, Wing-Yiu

supporting information, (2019/03/11)

We report the Ru-Catalyzed enantioselective annulation of 1,4,2-Dioxazol-5-Ones to furnish ?-Lactams in up to 97% yield and 98% ee via intramolecular carbonylnitrene C-H insertion. By employing chiral diphenylethylene diamine (dpen) as ligands bearing electron-Withdrawing arylsulfonyl substituents, the reactions occur with remarkable chemo- A nd enantioselectivities; the competing Curtius-Type rearrangement was largely suppressed. Enantioselective nitrene insertion to allylic/propargylic C-H bonds was also achieved with remarkable tolerance to the Ca?C and Ca‰iC bonds.

Ruthenium(II)-Catalyzed Enantioselective γ-Lactams Formation by Intramolecular C-H Amidation of 1,4,2-Dioxazol-5-ones

Xing, Qi,Chan, Chun-Ming,Yeung, Yiu-Wai,Yu, Wing-Yiu

supporting information, p. 3849 - 3853 (2019/04/25)

We report the Ru-catalyzed enantioselective annulation of 1,4,2-dioxazol-5-ones to furnish γ-lactams in up to 97% yield and 98% ee via intramolecular carbonylnitrene C - H insertion. By employing chiral diphenylethylene diamine (dpen) as ligands bearing electron-withdrawing arylsulfonyl substituents, the reactions occur with remarkable chemo- and enantioselectivities; the competing Curtius-type rearrangement was largely suppressed. Enantioselective nitrene insertion to allylic/propargylic C - H bonds was also achieved with remarkable tolerance to the C=C and C=C bonds.

Non- C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)-H Amidation

Zhou, Zijun,Chen, Shuming,Hong, Yubiao,Winterling, Erik,Tan, Yuqi,Hemming, Marcel,Harms, Klaus,Houk,Meggers, Eric

supporting information, p. 19048 - 19057 (2019/12/04)

A new class of chiral ruthenium catalysts is introduced in which ruthenium is cyclometalated by two 7-methyl-1,7-phenanthrolinium heterocycles, resulting in chelating pyridylidene remote N-heterocyclic carbene ligands (rNHCs). The overall chirality results from a stereogenic metal center featuring either a or Δabsolute configuration. This work features the importance of the relative metal-centered stereochemistry. Only the non-C2-symmetric chiral-at-ruthenium complexes display unprecedented catalytic activity for the intramolecular C(sp3)-H amidation of 1,4,2-dioxazol-5-ones to provide chiral -lactams with up to 99:1 er and catalyst loadings down to 0.005 mol % (up to 11 ?200 TON), while the C2-symmetric diastereomer favors an undesired Curtius-type rearrangement. DFT calculations elucidate the origins of the superior C-H amidation reactivity displayed by the non-C2-symmetric catalysts compared to related C2-symmetric counterparts.

INHIBITORS OF RAC1 AND USES THEREOF FOR TREATING CANCERS

-

Paragraph 0094-0096, (2019/01/04)

The present invention concerns a compound having the following formula (I): wherein: - A is in particular -N(R'a)-C(=O)-R, R'a being H or a (C1-C6)alkyl group, and R being preferably a group having the following formula (II): - X is in particular chosen from the group consisting of: -SO2-N(R'b)-, R'b being H or a (C1-C6)alkyl group, -N(R"b)-SO2-, R"b being H or a (C1-C6)alkyl group, -CO-NH-, and -NH-CO-, for use for the treatment of cancers, such as metastatic cancers.

PYRROLE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF

-

Paragraph 0044; 0045, (2013/10/22)

An object of the present invention is to provide a pyrrole derivative useful as an immunosuppressive agent and a method for producing the same. For achieving the object, the present invention provides a method for producing a compound represented by the g

A facile synthesis of pyrrolo-(di)-benzazocinones via an intramolecular N-acyliminium ion cyclisation

King, Frank D.,Aliev, Abil E.,Caddick, Stephen,Tocher, Derek A.,Courtier-Murias, Denis

experimental part, p. 167 - 177 (2009/04/07)

A facile, moderate to high yielding synthesis of hexahydro-(di)- benzazocinones is described via an intramolecular N-acyliminium ion cyclisation. The iminium ion intermediates are formed from the readily available 4,4-diethoxybutyl amides with an excess of triflic acid. For electron-withdrawing substituents, better yields were obtained from the pre-formed 2-hydroxypyrrolidine amides. From NMR studies, at ambient temperatures the pyrrolo-benzazocin-3-ones exist as a slowly equilibrating mixture of two conformations.

Synthesis and structure-activity relationship studies of 2-(N-substituted)-aminobenzimidazoles as potent negative gating modulators of small conductance Ca2+-activated K+ channels

S?rensen, Ulrik S.,Str?b?k, Dorte,Christophersen, Palle,Hougaard, Charlotte,Jensen, Marianne L.,Nielsen, Elsebet ?.,Peters, Dan,Teuber, Lene

supporting information; experimental part, p. 7625 - 7634 (2009/12/07)

Small conductance Ca2+-activated K+ channels (SK channels) participate in the control of neuronal excitability, in the shaping of action potential firing patterns, and in the regulation of synaptic transmission. SK channel inhibitors have the potential of becoming new drugs for treatment of various psychiatric and neurological diseases such as depression, cognition impairment, and Parkinson's disease. In the present study we describe the structure-activity relationship (SAR) of a class of 2-(N-substituted)-2- aminobenzimidazoles that constitute a novel class of selective SK channel inhibitors that, in contrast to classical SK inhibitors, do not block the pore of the channel. The pore blocker apamin is not displaced by these compounds in binding studies, and they still inhibit SK channels in which the apamin binding site has been abolished by point mutations. These novel SK inhibitors shift the concentration-response curve for Ca2+ toward higher values and represent the first example of negative gating modulation as a mode-of-action for inhibition of SK channels. The first described compound in this class is NS8593 (14), and the most potent analogue identified in this study is the racemic compound 39 (NS11757), which reversibly inhibits SK3-mediated currents with a Kd value of 9 nM.

AMINO ALCOHOL COMPOUND

-

Page/Page column 38, (2010/11/25)

A pharmaceutical composition is provided that has a low toxicity, demonstrates superior physicochemical properties and pharmacokinetics, and has superior peripheral blood lymphocyte count lowering activity. The pharmaceutical composition contains a compound having general formula (I): (wherein R 1 represents a methyl group or an ethyl group, R 2 represents a methyl group or an ethyl group, and R 3 represents a phenyl group substituted with 1 to 3 substituents selected from the group consisting of a halogen atom, a lower alkyl group, a cycloalkyl group, a lower alkoxy group, a halogeno lower alkyl group, a lower aliphatic acyl group and a cyano group), a pharmacologically acceptable salt thereof or a pharmacologically acceptable ester thereof.

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