Deuterium

Base Information

• Chemical Name: Deuterium
• CAS No.: 7782-39-0
• Molecular Formula: D2
• Molecular Weight: 302.255
• European Community (EC) Number: 231-952-7
• UN Number: 1957
• UNII: AR09D82C7G
• DSSTox Substance ID: DTXSID2064810
• Wikidata: Q6419441
• Mol file: 7782-39-0.mol

Synonyms:Deuterium;Deuterons;Hydrogen 2;Hydrogen-2

Chemical Property of Deuterium

Chemical Property:

• Appearance/Colour: colourless gas
• Vapor Pressure: 17.1-1665kPa at -254.43--234.8℃
• Melting Point: -254 C
• Boiling Point: -250 C
• PSA: 0.00000
• Density: 0.169 g/mL at 25oC(lit.)
• LogP: 0.00000
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 4.0282035557
• Heavy Atom Count: 0
• Complexity: 0
• Transport DOT Label: Flammable Gas

Purity/Quality:

99.9% ^*data from raw suppliers

D-2- ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F+
• Hazard Codes: F+
• Statements: 12
• Safety Statements: 9-16-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Elements, Nonmetallic
• Canonical SMILES: [HH]
• Isomeric SMILES: [2H][2H]
• Recent ClinicalTrials: Pharmacokinetics Of Celecoxib Test Formulations
• Uses: The principal application of deuterium is in tracer studies for measuring rates and kinetics of chemical reactions. It also is used in thermonuclear reactions; and as a projectile in cyclotrons for bombardment of atomic nuclei to synthesize isotopes of several transuranium elements. Deuterium oxide, D2O, or heavy water is used as a neutron moderator in nuclear reactors. Used extensively in small amounts as tracer in the establishment of rates and kinetics of chemical reactions.

Technology Process of Deuterium

There total 3 articles about Deuterium 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: 70.0%

benzoyl chloride (98-88-4) + p-nitrophenyl glycinate-2,2-d2 → p-nitrophenyl N-benzoylglycinate-2,2-d2 (7782-39-0)

Guidance literature:

With TEA; In hexane; ethyl acetate; for 2h;

DOI:10.1021/ja00307a034

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → p-nitrophenyl N-benzoylglycinate-2,2-d2 (7782-39-0)

Guidance literature:

Multi-step reaction with 3 steps

1: dicyclohexylcarboimide / CHCl₃ / 3 h / 10 °C

2: 4 M HCl / dioxane / 0.25 h

3: 70 percent / TEA / ethyl acetate; hexane / 2 h

With hydrogenchloride; TEA; dicyclohexyl-carbodiimide; In 1,4-dioxane; hexane; chloroform; ethyl acetate;

DOI:10.1021/ja00307a034

Reference yield:

p-nitrophenyl N-(tert-butoxycarbonyl)glycinate-2,2-d2 → p-nitrophenyl N-benzoylglycinate-2,2-d2 (7782-39-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 4 M HCl / dioxane / 0.25 h

2: 70 percent / TEA / ethyl acetate; hexane / 2 h

With hydrogenchloride; TEA; In 1,4-dioxane; hexane; ethyl acetate;

DOI:10.1021/ja00307a034

upstream raw materials:

benzoyl chloride

4-nitro-phenol

Refernces