ACETO-D3-PHENONE

Base Information

• Chemical Name: ACETO-D3-PHENONE
• CAS No.: 17537-31-4
• Molecular Formula: C8H5D3O
• Molecular Weight: 123.127
• Hs Code.: 28459000
• Mol file: 17537-31-4.mol

Synonyms:Acetophenone-2,2,2-d3 (7CI,8CI);Aceto-d3-phenone;Acetophenone-a,a,a-d3;

Chemical Property of ACETO-D3-PHENONE

Chemical Property:

• Vapor Pressure: 0.299mmHg at 25°C
• Melting Point: 19-20 °C(lit.)
• Refractive Index: n20/D 1.5329(lit.)
• Boiling Point: 202 °C at 760 mmHg
• Flash Point: 80.9 °C
• PSA: 17.07000
• Density: 1.018 g/cm³
• LogP: 1.88920
• Sensitive.: Hygroscopic

Purity/Quality:

99% ^*data from raw suppliers

Acetophenone-d3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of ACETO-D3-PHENONE

There total 16 articles about ACETO-D3-PHENONE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

acetophenone (98-86-2) → Acetophenone-methyl-d3 (17537-31-4)

Guidance literature:

With 4 A molecular sieve; water-d2; at 180 ℃; for 0.5h; under 9000.72 Torr; microwave irradiation;

DOI:10.1246/cl.2004.846

Reference yield: 92.0%

phenylacetylene (536-74-3) → Acetophenone-methyl-d3 (17537-31-4)

Guidance literature:

With hydrogenchloride; water-d2; cetyltrimethylammonim bromide; In isopropyl alcohol; at 140 ℃; for 7h;

DOI:10.1002/cssc.201200838

Reference yield: 82.4%

[2H3]acetyl chloride (19259-90-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → Acetophenone-methyl-d3 (17537-31-4)

Guidance literature:

With aluminium trichloride; for 1h; Ambient temperature;

upstream raw materials:

acetophenone

2,2,2-trideuterio-1-phenylethanol

[2H₃]acetyl chloride

benzene

Downstream raw materials:

rac-(β,β-²H₂)styrene oxide

Benzaldehyde-d

benzaldehyde

rac-1-phenyl(2,2,2-²H₃)ethan(²H)ol

Refernces

• 1、 Majer,Patrick. "". . p. 1274,1275. Retrieved 1963.
• 2、 Kallos,Westover. "The use of preparative gas-liquid chromatography for deuterium labelling of organic compounds". . p. 1223 - 1226. Retrieved 1967.
• 3、 Maishal, Tarun K.,Alauzun, Johan,Basset, Jean-Marie,Coperet, Christophe,Corriu, Robert J. P.,Jeanneau, Erwan,Mehdi, Ahmad,Reye, Catherine,Veyre, Laurent,Thieuleux, Chloe. "A tailored organometallic-inorganic hybrid mesostructured material: A route to a well-defined, active, and reusable heterogeneous iridium-NHC catalyst for H/D exchange". . p. 8654 - 8656. Retrieved 2008.
• 4、 Greene et al.. "". . p. 867,872. Retrieved 1970.
• 5、 Crombie, Leslie,Dove, Roderick V.. "Conversion of xanthyrones into glutaconic anhydride-pyrone (GP) compounds in strong acid media: Selective deuteriation as between chelated and unchelated acetyls". . p. 1695 - 1698. Retrieved 1996.
• 6、 Darshana, Dhanushka,Kittakoop, Prasat,Mahidol, Chulabhorn,Ruchirawat, Somsak,Sureram, Sanya. "Spontaneous conversion of prenyl halides to acids: application in metal-free preparation of deuterated compounds under mild conditions". supporting information. p. 7390 - 7402. Retrieved 2021/09/07.
• 7、 Zhou, Hua,Li, Zhenhua,Xu, Si-Min,Lu, Lilin,Xu, Ming,Ji, Kaiyue,Ge, Ruixiang,Yan, Yifan,Ma, Lina,Kong, Xianggui,Zheng, Lirong,Duan, Haohong. "Selectively Upgrading Lignin Derivatives to Carboxylates through Electrochemical Oxidative C(OH)?C Bond Cleavage by a Mn-Doped Cobalt Oxyhydroxide Catalyst". supporting information. p. 8976 - 8982. Retrieved 2021/03/16.