Trimethylene sulfate

Base Information

• Chemical Name: Trimethylene sulfate
• CAS No.: 1073-05-8
• Molecular Formula: C3H6 O4 S
• Molecular Weight: 138.144
• Hs Code.: 2934999090
• European Community (EC) Number: 214-022-5
• NSC Number: 526595
• UNII: U6R4I8LVEF
• DSSTox Substance ID: DTXSID4061460
• Nikkaji Number: J50.789J,J3.263.010C
• Wikidata: Q27290765
• Mol file: 1073-05-8.mol

Synonyms:1073-05-8;Trimethylene sulfate;1,3,2-Dioxathiane 2,2-dioxide;1,3,2-dioxathiane-2,2-dione;1,3-Propylene sulfate;1,3-Propanediol cyclic sulfate;1,3,2-Dioxathiane, 2,2-dioxide;1,3-Propanediol, cyclic sulfate;NSC 526595;EINECS 214-022-5;UNII-U6R4I8LVEF;U6R4I8LVEF;BRN 0774775;1,3,2-DIOXATHIANE2,2-DIOXIDE;C3H6O4S;1,3-Propanediol, cyclic sulphate;[1,3,2]dioxathiane 2,2-dioxide;NSC526595;NSC-526595;3-01-00-02161 (Beilstein Handbook Reference);1,3-propylene sulphate;TRIMETHYLENE SULPHATE;SCHEMBL51770;DTXSID4061460;PROPANO-1,3-DIYL SULFATE;PROPYLENE SULFATE, 1,3-;PROPANO-1,3-DIYL SULPHATE;PROPYLENE SULPHATE, 1,3-;1,3,2lambda-dioxathiane-2,2-dione;MFCD00801144;Sulfuric acid 1,3-propanediyl ester;1,3,2lambda6-dioxathiane-2,2-dione;AKOS015907881;1,3-Propanediol cyclic sulfate, 98%;BS-30033;LS-120298;CS-0204556;D4427;FT-0707060;F20412;EN300-1725068;W-108753;Q27290765

Chemical Property of Trimethylene sulfate

Chemical Property:

• Appearance/Colour: White Crystal Powder
• Vapor Pressure: 0.0589mmHg at 25°C
• Melting Point: 58-62ºC
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 240.4ºC at 760 mmHg
• Flash Point: 99.2ºC
• PSA: 60.98000
• Density: 1.452 g/cm³
• LogP: 0.74890
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 137.99867984
• Heavy Atom Count: 8
• Complexity: 141

Purity/Quality:

99%+ ^*data from raw suppliers

1,3,2-Dioxathiane 2,2-Dioxide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: C1COS(=O)(=O)OC1
• Uses: 1,3,2-Dioxathiane 2,2-Dioxide is a reagent used in the synthesis of deoxy salacinols via coupling reaction.

Technology Process of Trimethylene sulfate

There total 11 articles about Trimethylene sulfate 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: 92.0%

sulfuric acid mono-(3-hydroxy-propyl) ester → 1,3,2-dioxathiane 2,2-dioxide (1073-05-8)

Guidance literature:

With modified ZSM-5 molecular sieve catalyst; In toluene; at 105 - 115 ℃; Temperature; Solvent; Reagent/catalyst; Inert atmosphere; Sealed tube;

Reference yield: 88.17%

→ 1,3,2-dioxathiane 2,2-dioxide (1073-05-8)

Guidance literature:

With ruthenium trichloride; calcium hypochlorite; at 15 ℃;

Reference yield: 87.0%

trimethyleneglycol (504-63-2) → 1,3,2-dioxathiane 2,2-dioxide (1073-05-8)

Guidance literature:

trimethyleneglycol; With thionyl chloride; In tetrachloromethane; for 1.5h; Heating;

With ruthenium trichloride; sodium periodate; In water; acetonitrile; at 20 ℃; for 1.5h; Further stages.;

DOI:10.1021/ol9911573

upstream raw materials:

1,3-dibromo-propane

2-oxo-1,3,2-dioxathiane

1,3-diacetoxypropane

dimethyl sulfate

Downstream raw materials:

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-{4-[3-(sulfoxy)propoxy]benzyl}propylcarbamate potassium salt

N-methyl-3-phenylpropylamine hydrochloride

5'-(methyloxy)-4'-{[3-(4-morpholinyl)propyl]oxy}acetophenone

3-(cyclohexylammonio)propyl sulfate