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1-((2-chlorophenyl)thio)propan-2-one, also known as 2-chloro-4'-methylpropiophenone, is a chemical compound with the molecular formula C9H9ClOS. It is a white crystalline solid that exhibits a slightly sulfurous or phenolic odor. 1-((2-chlorophenyl)thio)propan-2-one is characterized by a thioether functional group attached to a propan-2-one backbone, with a chlorophenyl group as a substituent. It is recognized for its versatility as a building block in organic chemistry and holds significant value in the pharmaceutical industry for the synthesis of various drugs and active pharmaceutical ingredients.

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  • 112091-20-0 Structure
  • Basic information

    1. Product Name: 1-((2-chlorophenyl)thio)propan-2-one
    2. Synonyms: 1-((2-chlorophenyl)thio)propan-2-one
    3. CAS NO:112091-20-0
    4. Molecular Formula:
    5. Molecular Weight: 180.271
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 112091-20-0.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: 1-((2-chlorophenyl)thio)propan-2-one(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-((2-chlorophenyl)thio)propan-2-one(112091-20-0)
    11. EPA Substance Registry System: 1-((2-chlorophenyl)thio)propan-2-one(112091-20-0)
  • 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: 112091-20-0(Hazardous Substances Data)

112091-20-0 Usage

Uses

Used in Pharmaceutical Industry:
1-((2-chlorophenyl)thio)propan-2-one is used as a key intermediate for the synthesis of various pharmaceuticals and organic compounds. Its unique structure and functional groups make it a valuable component in the development of new drugs and active ingredients, contributing to the advancement of medical treatments and therapies.
Used in Organic Chemistry:
In the field of organic chemistry, 1-((2-chlorophenyl)thio)propan-2-one serves as a versatile building block for the creation of a wide range of chemical compounds. Its thioether and chlorophenyl groups provide opportunities for further chemical reactions and modifications, allowing researchers to explore new avenues in chemical synthesis and compound development.

Check Digit Verification of cas no

The CAS Registry Mumber 112091-20-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,0,9 and 1 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 112091-20:
(8*1)+(7*1)+(6*2)+(5*0)+(4*9)+(3*1)+(2*2)+(1*0)=70
70 % 10 = 0
So 112091-20-0 is a valid CAS Registry Number.

112091-20-0Downstream Products

112091-20-0Relevant articles and documents

Synthesis of α-arylthioacetones using TEMPO as the: C 3 synthon via a reaction cascade of sequential oxidation, skeletal rearrangement and C-S bond formation

Zou, Jiao-Xia,Jiang, Yi,Lei, Shuai,Yin, Gao-Feng,Hu, Xiao-Ling,Zhao, Quan-Yi,Wang, Zhen

supporting information, p. 2341 - 2345 (2019/03/07)

Here, we present an unprecedented pathway to α-sulfenylated carbonyl compounds from commercially available thiols and universally employed TEMPO and its analogues, which act as C3 synthons through skeletal rearrangement under simple and metal-f

α-Arylchalcogenation of acetone with diaryl dichalcogenide via metal-free oxidative C(sp3)-H bond functionalization

Yan, Guobing,Borah, Arun Jyoti,Wang, Lianggui,Pan, Zhangjin,Chen, Shuangshuang,Shen, Xuqian,Wu, Xiangmei

supporting information, p. 4305 - 4307 (2015/06/22)

Direct α-arylchalcogenation of acetone with diaryl dichalcogenides has been achieved by using a mixture of TBHP and DTBP oxidants at 120 °C without transition-metal catalyst via oxidative C(sp3)-H bond functionalization. The method exhibits good functional group tolerance and products were isolated in moderate to high yields.

Synthesis and anticancer activity of new phenyl-ring substituted 4-morpholino-1-phenylthio-2-butanones [Mannich bases]

Siatra-Papastaikoudi,Tsotinis,Chinou,Roussakis

, p. 221 - 223 (2007/10/02)

The preparation of phenyl-ring substituted 4-morpholino-1-phenylthio-2-butanones 4a-e is described. These compounds were evaluated against P-388 leukemia and human cancer rhinopharynx KB cells in vitro; some compounds were found to exhibit activity agains

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