Butadiene sulfone-2,2,5,5-d4

Base Information

• Chemical Name: Butadiene sulfone-2,2,5,5-d4
• CAS No.: 20966-34-1
• Molecular Formula: C₄H₆O₂S
• Molecular Weight: 122.125
• Hs Code.: 2934999090
• European Community (EC) Number: 693-220-7
• Mol file: 20966-34-1.mol

Synonyms:Butadiene sulfone-2,2,5,5-d4;20966-34-1;2,2,5,5-tetradeuteriothiophene 1,1-dioxide;Butadiene-2,2,5,5-D4 sulfone;SCHEMBL11459747;Butadiene sulfone-2,2,5,5-d4, 98 atom % D;2, 2, 5, 5-tetradeuteriothiophene 1, 1-dioxide;J-013741

Chemical Property of Butadiene sulfone-2,2,5,5-d4

Chemical Property:

• Vapor Pressure: 0.00215mmHg at 25°C
• Melting Point: 67-68 °C(lit.)
• Boiling Point: 299.2°C at 760 mmHg
• Flash Point: 188.4°C
• PSA: 42.52000
• Density: 1.379g/cm³
• LogP: 1.05180
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 122.03395759
• Heavy Atom Count: 7
• Complexity: 156

Purity/Quality:

97% ^*data from raw suppliers

BUTADIENE SULFONE-2,2,5,5-D4 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 22-26-28-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCS1(=O)=O
• Isomeric SMILES: [2H]C1(C=CC(S1(=O)=O)([2H])[2H])[2H]

Technology Process of Butadiene sulfone-2,2,5,5-d4

There total 3 articles about Butadiene sulfone-2,2,5,5-d4 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:

3-Sulfolene (77-79-2) → 2,2,5,5-tetradeuteriated-2,5-dihydrothiophene 1,1-dioxide (20966-34-1)

Guidance literature:

With water-d2; potassium carbonate;

DOI:10.1021/ja00532a055

Reference yield:

3-Sulfolene (77-79-2) → 2,2,5,5-tetradeuteriated-2,5-dihydrothiophene 1,1-dioxide (20966-34-1) + 2-deuteriated-4,5-dihydrothiophene 1,1-dioxide (20627-72-9)

Guidance literature:

With water-d2; sodium hydride; In N,N-dimethyl-formamide; for 2h; Ambient temperature;

Reference yield:

→ 2,2,5,5-tetradeuteriated-2,5-dihydrothiophene 1,1-dioxide (20966-34-1)

Guidance literature:

2,5-Dihydrothiophen-1,1-dioxyd (Butadien-sulfon), K2CO3 in Dioxan-D2O <20grad, 48 Std.>;

upstream raw materials:

3-Sulfolene

Downstream raw materials:

1,1,4,4-tetradeuterio-1,3-butadiene

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