130208-38-7

Basic information

• Product Name: BENZALACETONE-D4
• Synonyms: BENZALACETONE-D4;BENZYLIDENEACETONE-D4;TRANS-4-PHENYL-3-BUTEN-2-ONE-1,1,1,3-D4;benzalacetone-d4, benzylideneacetone-d4
• CAS NO: 130208-38-7
• Molecular Formula: C10H6D4O
• Molecular Weight: 150.21
• Mol File: 130208-38-7.mol

Chemical Properties

• Melting Point: 39-42 °C(lit.)
• Boiling Point: 260-262 °C(lit.)
• Flash Point: 150 °F
• Appearance: /
• Density: 1.042g/cm³
• Vapor Pressure: 0.012mmHg at 25°C
• Refractive Index: 1.563
• CAS DataBase Reference: BENZALACETONE-D4(CAS DataBase Reference)
• NIST Chemistry Reference: BENZALACETONE-D4(130208-38-7)
• EPA Substance Registry System: BENZALACETONE-D4(130208-38-7)

Safety Data

• Hazard Codes: F,Xn
• Statements: 11-36/37/38-42/43
• Safety Statements: 16-26-36
• RIDADR: UN 1325 4.1/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 130208-38-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+/i1D3,7D

Upstream product

• 666-52-4 [⁽²⁾H₆]acetone 
• 100-52-7 benzaldehyde 

Relevant articles and documents

Selective Cross-Dehydrogenative C(sp3)-H Arylation with Arenes

Selective C(sp3)-C(sp2) bond construction is of central interest in chemical synthesis. Despite the success of classic cross-coupling reactions, the cross-dehydrogenative coupling between inert C(sp3)-H and C(sp2)-H bonds represents an attractive alternative toward new C(sp3)-C(sp2) bonds. Herein, we establish a selective inter-and intramolecular C(sp3)-H arylation of alcohols with nondirected arenes that thereby provides a general pathway to access a wide range of β-arylated alcohols, including tetrahydronaphthalen-2-ols and benzopyran-3-ols, with high to excellent chemo-and regioselectivity.

ACTIVATION OF WATER MOLECULES - 2. GENERATION OF STRONG HYDROXO BASES BY THE REACTION OF WATER WITH PLATINUM (0) PHOSPHINE COMPLEXES AND THE APPLICATIONS AS CATALYSTS FOR H-D EXCHANGE AND HYDRATION REACTIONS.

The dissociation of Pt(PEt//3)//4 in organic solvents (THF, n-heptane) occurs to give Pt(PEt//3)//3 L equals 0. 5 M in THF at 20 degree C), no further dissociation being detected, while Pt left bracket P(i-Pr)//3 right bracket //3, upon dissolution in the above solvents, exists mainly as Pt left bracket P(i-Pr)//3 right bracket //2 (K//L equals 0. 14 M in THF at 20 degree chemical Addition of water to PtL//(L equals PEt//3//, P(i-Pr)//3) generates strong hydroxy bases, left bracket PtHL//3 right bracket OH (L equals PEt//3) or trans- left bracket PtH(S)L//2 right bracket OH (L equals P(i-Pr)//3//, S equals solvent), while the addition to Pt left bracket P(i-Pr)//3 right bracket //2 gives a sigma -hydrido hydroxo compound, trans-PtH(OH) left bracket P(i-Pr)//3 right bracket //2. Quantitative study on the reversible water addition to PtL//3 in organic solvents was carried out by pH and conductance measurements. The conductometric behaviors of the system PtL//3(L equals PEt//3)/H//2O in pyridine and THF are described in terms of two equilibria. The mechanism was studied for H-D exchange of C//6H//5COCH//3 to show that the reaction follows a rate equation, R equals k left bracket Pt right bracket left bracket C//6H//5COCH//3 right bracket , and involves a reversible condensation, M** plus OD** minus plus C//6H//5COCH//3 reversible reaction MCH// 2COC//6H//5 plus DHO, as the rate-determining step. Unlike the alkaline base-catalyzed reaction, alpha -olefinic, allylic, and aldehydic hydrogen atoms of alpha , beta -unsaturated carbonyl compounds were exchanged. The hydration of the nitrile and double bonds of RCH equals CHCN catalyzed by left bracket PtHL//3 right bracket OH or left bracket PtH(S)L//2 right bracket OH and trans-Pt(OH)(R)(PPh//3)//2 occurs with excellent chemical yields.