ETHYL-2,2,2-D3 ALCOHOL

Base Information

• Chemical Name: ETHYL-2,2,2-D3 ALCOHOL
• CAS No.: 1759-87-1
• Molecular Formula: C2H3D3O
• Molecular Weight: 49.0452
• Mol file: 1759-87-1.mol

Synonyms:Ethanol-2,2,2-d3;2,2,2-Trideuterioethanol;2,2,2-Trideuteroethanol;Ethyl-2,2,2-d3alcohol (6CI,7CI,8CI);

Chemical Property of ETHYL-2,2,2-D3 ALCOHOL

Chemical Property:

• Vapor Pressure: 82.8mmHg at 25°C
• Refractive Index: n20/D 1.3611(lit.)
• Boiling Point: 72.6 °C at 760 mmHg
• Flash Point: 8.9 °C
• PSA: 20.23000
• Density: 0.831 g/cm³
• LogP: -0.00140

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl-2,2,2-d3Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 7-16

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl-2,2,2-d3 Alcohol: Most ethyl alcohols are used in alcoholic beverages in suitable dilutions. Other uses are as solvents in laboratory and industry , in the manufacture of denatured alcohol, pharmaceuticals, in perfumery, in organic synthesis. Used as antiseptic.

Technology Process of ETHYL-2,2,2-D3 ALCOHOL

There total 12 articles about ETHYL-2,2,2-D3 ALCOHOL 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: 85.0%

[2H3]acetyl chloride (19259-90-6) → 2,2,2-trideuteroethanol (1759-87-1)

Guidance literature:

With lithium aluminium tetrahydride; In dibutyl ether;

DOI:10.1016/S0022-328X(00)81950-6

Reference yield: 79.0%

methyl trideuteroacetate (21300-54-9) → 2,2,2-trideuteroethanol (1759-87-1)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminum hydride; In tetrahydrofuran; at 65 ℃; for 5h;

DOI:10.1021/jo00079a015

Reference yield: 63.0%

[D3]acetonitrile (2206-26-0) + [(Ph2PC6H4CH2S)2(C2H4)Ni-COCH3]BPh4 → ethanol-d6 (1516-08-1) + 2,2,2-trideuteroethanol (1759-87-1) + acetaldehyde-2,2,2-d3 (19901-15-6) + ethanol-d3 (22544-42-9) + ((Ph2PC6H4CH2S)2(C2H4))Ni + acetaldehyde (75-07-0,9002-91-9)

Guidance literature:

With tetrabutylammonium borohydride; for 0.0833333h; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1021/acs.organomet.7b00472

upstream raw materials:

[2H₃]acetyl chloride

Trideutero-methylbromid

acetylene

d⁽⁴⁾-methanol

Downstream raw materials:

ethyl-2,2,2-d3 iodide

acetaldehyde-2,2,2-d3

chloroethane-2,2,2-d3

2-bromo-1,1,1-trideuterio-ethane

Refernces

• 1、 Gajewski, Joseph J.,Benner, Charles W.,Hawkins, Christopher M.. "Kinetics an Stereochemistry of the Thermal Interconversion of 4,5-Dimethyl-2,6-octadienes". . p. 5198 - 5204. Retrieved 1987.
• 2、 Bowen, Richard D.,Edwards, Howell G. M.,Farwell, Dennis W.,Morgan, Sara E. "Raman spectroscopy of n-pentyl methyl ether and deuterium labelledanalogues". . p. 1725 - 1734. Retrieved 2010.
• 3、 McAdoo,Witiak. "". . p. 499,501. Retrieved 1978.
• 4、 Casey,Cyr. "". . p. 2248,2253. Retrieved 1973.
• 5、 Tsolis et al.. "". . p. 992,993-995. Retrieved 1976.
• 6、 Bowen, Richard D.,Colburn, Alex W.,Derrick, Peter J.. "Unimolecular Reactions of Isolated Organic Ions: Reactions of the Immonium Ions CH2=N+(CH3)CH(CH3)2, CH2=N+(CH3)CH2CH2CH3 and CH2=N+(CH2CH2CH3)2". . p. 2363 - 2372. Retrieved 1993.
• 7、 Holmes, John L.,Burgers, Peter C.,Mollah, Yousuf A.. "Alkane Elimination From Ionized Alkanols". . p. 127 - 130. Retrieved 1982.
• 8、 Amrein, A.,Hollenstein, H.,Quack, M.,Zenobi, R.,Segall, J.,Zare, R. N.. "Fermi resonance structure in the CH vibrational overtones of CD3CHO". . p. 3944 - 3951. Retrieved 1989.
• 9、 Yoshimura, Toshiaki,Sakae, Hironori,Yoshizawa, Masaki,Hasegawa, Kiyoshi,Tsukurimichi, Eiichi. "Pyrolysis of α- and β-heteroatoms substituted ethyl phenyl sulfoxides". experimental part. p. 1162 - 1173. Retrieved 2010/08/06.