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41467-27-0

41467-27-0

41467-27-0

Identification

Synonyms:1-Propene-1,3-dione,3-p-tolyl-, 1-(dimethyl mercaptole) (6CI);3,3-Bis(methylthio)-1-(4-methylphenyl)-2-propen-1-one

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Chemical Properties

  • Boiling Point: 363.709°C at 760 mmHg

  • Flash Point:154.182°C

  • Density: 1.145g/cm3

  • Vapor Pressure: 0mmHg at 25°C

  • Refractive Index: 1.597

  • PSA: 67.67000

  • LogP: 3.74510

Safety information and MSDS view more

  • Signal Word:no data available

  • Hazard Statement:no data available

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price view more

  • Manufacture/Brand
  • Product Description
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  • Manufacture/Brand:American Custom Chemicals Corporation
  • Product Description:3,3-BIS-METHYLSULFANYL-1-PARA-TOLYL-PROPENONE 95.00%
  • Packaging:5MG
  • Price:$ 496.38
  • Delivery:In stock
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Relevant articles and documentsAll total 17 Articles be found

Transition metal free synthesis of multifunctional thiomethylated-benzenes from aryl/heteroaryl/cyclopropyl methyl ketones

Panwar, Rahul,Althagafi, Ismail,Shally,Shaw, Ranjay,Elagamy, Amr,Shah, Chandan,Yadav, Pratik,Pratap, Ramendra

, (2020/04/28)

A base-promoted strategic synthesis of various functionalized thiomethylated-benzenes has been established from aryl/heteroaryl/cyclopropyl methyl ketone. We can directly access the thiomethylated-benzene nucleus embedded with diverse functional group by

Bronsted acid catalyzed PhSe transfer versus radical aryl transfer: Linear codimerization of styrenes and internal olefins

Wu, Ping,Wang, Liandi,Wu, Kaikai,Yu, Zhengkun

supporting information, p. 868 - 871 (2015/03/30)

Bronsted acid p-TsOH·H2O-catalyzed hydrovinylation of styrenes with internal olefins α-oxo ketene dithioacetals was efficiently achieved in the presence of N-phenylselenophthalimide (N-PSP), regioselectively affording Markovnikov phenylselenati

Copper-catalyzed trifluoromethylation of internal olefinic C-H bonds: Efficient routes to trifluoromethylated tetrasubstituted olefins and N-heterocycles

Mao, Zhifeng,Huang, Fei,Yu, Haifeng,Chen, Jiping,Yu, Zhengkun,Xu, Zhaoqing

supporting information, p. 3439 - 3445 (2014/04/03)

The functionalization of internal olefins has been a challenging task in organic synthesis. Efficient CuII-catalyzed trifluoromethylation of internal olefins, that is, α-oxoketene dithioacetals, has been achieved by using Cu(OH)2 as a catalyst and TMSCF3 as a trifluoromethylating reagent. The push-pull effect from the polarized olefin substrates facilitates the internal olefinic C-H trifluoromethylation. Cyclic and acyclic dithioalkyl α-oxoketene acetals were used as the substrates and various substituents were tolerated. The internal olefinic C-H bond cleavage was not involved in the rate-determining step, and a mechanism that involves radicals is proposed based on a TEMPO-quenching experiment of the trifluoromethylation reaction. Further derivatization of the resultant CF 3 olefins led to multifunctionalized tetrasubstituted CF3 olefins and trifluoromethylated N-heterocycles.

Process route upstream and downstream products

Process route

carbon disulfide
75-15-0,12122-00-8

carbon disulfide

para-methylacetophenone
122-00-9

para-methylacetophenone

methyl iodide
74-88-4

methyl iodide

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one
41467-27-0

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one

Conditions
Conditions Yield
With potassium tert-butylate; In tetrahydrofuran; at 0 ℃;
65%
Multistep reaction; (i) NaOCMe2Et, (ii) /BRN= 969135/;
With sodium hydride; Multistep reaction;
With sodium hydride; Yield given. Multistep reaction; 1.) DMF, benzene, 2.) ice bath, 1 h;
carbon disulfide; para-methylacetophenone; With sodium hydride; In N,N-dimethyl-formamide; benzene;
methyl iodide; In N,N-dimethyl-formamide; benzene; for 1h; cooling;
carbon disulfide; para-methylacetophenone; With sodium hydride; In N,N-dimethyl-formamide; toluene; at 20 ℃; for 0.5h;
methyl iodide; In N,N-dimethyl-formamide; toluene; for 2h; Cooling with ice;
With sodium hydride; In N,N-dimethyl-formamide; toluene; mineral oil; at 0 ℃; for 24h;
para-methylacetophenone; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.333333h;
carbon disulfide; In tetrahydrofuran; for 0.5h;
methyl iodide; In tetrahydrofuran; at 0 - 20 ℃; for 3h;
With sodium hydride; In tetrahydrofuran; Cooling;
With sodium hydride; In N,N-dimethyl-formamide; toluene; at 0 ℃; for 24h;
para-methylacetophenone; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.333333h;
carbon disulfide; In tetrahydrofuran; at 0 ℃; for 0.5h;
methyl iodide; In tetrahydrofuran; at 0 - 20 ℃; for 3h;
With sodium hydride; In tetrahydrofuran; at 0 - 5 ℃;
With sodium hydride; In tetrahydrofuran; at 0 ℃;
carbon disulfide
75-15-0,12122-00-8

carbon disulfide

para-methylacetophenone
122-00-9

para-methylacetophenone

dimethyl sulfate
77-78-1

dimethyl sulfate

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one
41467-27-0

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one

Conditions
Conditions Yield
para-methylacetophenone; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.25h; Inert atmosphere;
carbon disulfide; In tetrahydrofuran; at 0 ℃; for 4h; Inert atmosphere;
dimethyl sulfate; In tetrahydrofuran; at 0 - 20 ℃; for 4h; Inert atmosphere;
3,3-dichloro-1-(4-tolyl)-2-propen-1-one
41501-68-2

3,3-dichloro-1-(4-tolyl)-2-propen-1-one

sodium thiomethoxide
5188-07-8

sodium thiomethoxide

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one
41467-27-0

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one

Conditions
Conditions Yield
In benzene; for 2h; Heating;
62%
3,3-dimercapto-1-(p-methylphenyl)-2-propen-1-one
50850-01-6

3,3-dimercapto-1-(p-methylphenyl)-2-propen-1-one

methyl iodide
74-88-4

methyl iodide

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one
41467-27-0

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one

Conditions
Conditions Yield
With methanol; sodium methylate;
Sodium; (Z)-3-hydroxy-3-p-tolyl-dithioacrylate

Sodium; (Z)-3-hydroxy-3-p-tolyl-dithioacrylate

methyl iodide
74-88-4

methyl iodide

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one
41467-27-0

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one

Conditions
Conditions Yield
3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one
41467-27-0

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one

Conditions
Conditions Yield
(2R)-2-aminobutan-1-ol
5856-63-3

(2R)-2-aminobutan-1-ol

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one
41467-27-0

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one

methylthiol
74-93-1

methylthiol

(R)-(-)-(E)-2-<(4-methylbenzoyl)methylene>-4-ethyl-2-oxazolidine
126232-70-0

(R)-(-)-(E)-2-<(4-methylbenzoyl)methylene>-4-ethyl-2-oxazolidine

Conditions
Conditions Yield
With sodium; Yield given. Multistep reaction; 1.) THF, 2.) reflux, 1 d;
(2-cyanophenyl)acetonitrile
3759-28-2

(2-cyanophenyl)acetonitrile

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one
41467-27-0

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one

4-amino-3-(4-methylbenzoyl)-2-(methylsulfanyl)naphthalene-1-carbonitrile
1616775-83-7

4-amino-3-(4-methylbenzoyl)-2-(methylsulfanyl)naphthalene-1-carbonitrile

Conditions
Conditions Yield
With potassium hydroxide; In dimethyl sulfoxide; at 25 - 30 ℃; for 2h;
87%
With potassium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 2h;
3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one
41467-27-0

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one

aniline
62-53-3

aniline

(E)-1-(4-methylphenyl)-3-methylthio-3-(phenylamino)prop-2-en-1-one
118160-14-8

(E)-1-(4-methylphenyl)-3-methylthio-3-(phenylamino)prop-2-en-1-one

Conditions
Conditions Yield
With boron trifluoride diethyl etherate; In toluene; Reflux;
88%
With boron trifluoride diethyl etherate; In toluene; for 2h; Heating;
85%
In toluene; at 120 ℃; Inert atmosphere; Schlenk technique;
82%
N-(4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide

N-(4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one
41467-27-0

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one

N-[6-methyl-3-(4-methylbenzoyl)-2-(methylthio)benzofuran-5-yl]-4-methylbenzenesulfonamide
1413392-08-1

N-[6-methyl-3-(4-methylbenzoyl)-2-(methylthio)benzofuran-5-yl]-4-methylbenzenesulfonamide

Conditions
Conditions Yield
N-(4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide; With [bis(acetoxy)iodo]benzene; boron trifluoride diethyl etherate; In dichloromethane; acetonitrile; at 20 ℃; for 0.166667h;
3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one; With copper(ll) bromide; In dichloromethane; acetonitrile; at 20 ℃; for 0.5h;
69%

41467-27-0 Upstream products

41467-27-0 Downstream products

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