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16251-77-7

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16251-77-7 Usage

Description

3-Phenylbutyraldehyde, also known as 3-phenylbutanal, is an organic compound with the molecular formula C10H12O. It is an aromatic aldehyde characterized by its distinct smell and is derived from butyraldehyde with a phenyl group attached to the third carbon. 3-PHENYLBUTYRALDEHYDE is known for its potential applications in various fields due to its unique chemical properties.

Uses

Used in Pharmaceutical Industry:
3-Phenylbutyraldehyde is used as a reactant for studying the kinetics of certain reactions involving hydrogen peroxide and aromatic aldehydes with cytochrome P450BM3-F87G. This research is significant in understanding the enzyme's role in drug metabolism and detoxification processes, which can lead to the development of new drugs and therapies.
Used in Chemical Research:
3-Phenylbutyraldehyde serves as a valuable compound in chemical research, particularly in the synthesis of various organic molecules and the study of reaction mechanisms. Its unique structure allows for further functionalization and modification, making it a versatile building block in organic chemistry.
Used in Flavor and Fragrance Industry:
Due to its distinct aromatic properties, 3-phenylbutyraldehyde can be used as a component in the flavor and fragrance industry. It can contribute to the creation of unique scents and flavors in various consumer products, such as perfumes, cosmetics, and the food industry.

Flammability and Explosibility

Nonflammable

Check Digit Verification of cas no

The CAS Registry Mumber 16251-77-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,2,5 and 1 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 16251-77:
(7*1)+(6*6)+(5*2)+(4*5)+(3*1)+(2*7)+(1*7)=97
97 % 10 = 7
So 16251-77-7 is a valid CAS Registry Number.
InChI:InChI=1/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3

16251-77-7SDS

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 3-phenylbutanal

1.2 Other means of identification

Product number -
Other names 3-(R/S)-phenylbutyraldehyde

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:16251-77-7 SDS

16251-77-7Relevant articles and documents

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Yamamoto,S. et al.

, p. 961 - 962 (1973)

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Highly active rhodium/phosphorus catalytic system for the hydroformylation of α-methylstyrene

Zheng, Xue-Li,Zheng, Cong-Ye,Zhou, Fan-Ding,Fu, Hai-Yan,Yuan, Mao-Lin,Li, Rui-Xiang,Xu, Bin,Chen, Hua

, p. 678 - 680 (2016)

Rhodium catalyzed hydroformylation of α-methylstyrene was investigated in the presence of monodentate phosphine ligands L1-L6. We found that the phosphine with good π-acceptability could efficiently improve the activity of the α-methylstyrene hydroformylation. The big steric hindrance of α-C in α-methylstyrene enhanced the regioselectivity towards the linear aldehyde, which resulted in 3-phenylbutanal as the predominant product (>99.0%). When tris(N-pyrrolyl)phosphine (L1) modified Rh(acac)(CO)2 was employed as the catalyst, the TOF could reach up to 5786 h-1 in the α-methylstyrene hydroformylation at relatively mild conditions (110 °C, 6 MPa).

Method for preparing aldehyde/ketone by breaking C-C key

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Paragraph 0095-0098, (2021/11/19)

The invention discloses a method for preparing aldehyde/ketone by breaking C-C bonds, and the method comprises the following steps of anaerobic condition. In an organic solvent system, an alcohol is used as a reaction raw material, and the C-C bond is selectively broken under the common action of an iron catalyst, an organic base and an additive to obtain aldehyde/ketone. The method is low in cost, easy to obtain, wide in substrate range, simple and product in post-treatment and high in purity, a new synthetic route and a method are developed for an aldehyde ketone compound, and the method has good application potential and research value.

Optimized iminium-catalysed 1,4-reductions inside the resorcinarene capsule: achieving >90% ee with proline as catalyst

Sokolova, Daria,Tiefenbacher, Konrad

, p. 24607 - 24612 (2021/07/29)

In previous work, we demonstrated that iminium-catalysed 1,4-reductions inside the supramolecular resorcinarene capsule display increased enantioselectivities as compared to their regular solution counterparts. Utilizing proline as the chiral catalyst, enantioselectivities remained below 80% ee. In this study, the reaction conditions were optimized by determining the optimal capsule loading and HCl content. Additionally, it was found that alcohol additives increase the enantioselectivity of the capsule-catalysed reaction. As a result, we report enantioselectivities of up to 92% ee for iminium-catalysed 1,4-reductions relying on proline as the sole chiral source. This is of high interest, as proline is unable to deliver high enantioselectivities for 1,4-reductions in a regular solution setting. Investigations into the role of the alcohol additive revealed a dual role: it not only slowed down the background reaction but also increased the capsule-catalysed reaction rate.

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