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1-Methoxy-2-(3-methylbutyl)benzene is an organic compound with the molecular formula C12H18O. It is a colorless liquid with a distinctive aromatic odor. This chemical is characterized by the presence of a methoxy group (-OCH3) attached to the first carbon of the benzene ring and a 3-methylbutyl group (-C5H11) attached to the second carbon. The 3-methylbutyl group consists of a four-carbon chain with a methyl group (-CH3) attached to the third carbon. 1-methoxy-2-(3-methylbutyl)benzene is primarily used as a fragrance ingredient in various consumer products, such as perfumes, cosmetics, and detergents, due to its pleasant scent. It is also known for its low toxicity and is considered safe for use in these applications.

4957-19-1

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4957-19-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4957-19-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,9,5 and 7 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 4957-19:
(6*4)+(5*9)+(4*5)+(3*7)+(2*1)+(1*9)=121
121 % 10 = 1
So 4957-19-1 is a valid CAS Registry Number.

4957-19-1Relevant academic research and scientific papers

Catalytic Intermolecular C(sp3)-H Amination: Selective Functionalization of Tertiary C-H Bonds vs Activated Benzylic C-H Bonds

Brunard, Erwan,Boquet, Vincent,Van Elslande, Elsa,Saget, Tanguy,Dauban, Philippe

, p. 6407 - 6412 (2021/05/29)

A catalytic intermolecular amination of nonactivated tertiary C(sp3)-H bonds (BDE of 96 kcal·mol-1) is reported for substrates displaying an activated benzylic site (BDE of 85 kcal·mol-1). The tertiary C(sp3)-H bond is selectively functionalized to afford α,α,α-Trisubstituted amides in high yields. This unusual site-selectivity results from the synergistic combination of Rh2(S-Tfpttl)4, a rhodium(II) complex with a well-defined catalytic pocket, with tert-butylphenol sulfamate (TBPhsNH2), which leads to a discriminating rhodium-bound nitrene species under mild oxidative conditions. This catalytic system is very robust, and the reaction was performed on a 50 mmol scale with only 0.01 mol % of catalyst. The TBPhs group can be removed under mild conditions to afford the corresponding NH-free amines.

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