1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide

Base Information

• Chemical Name: 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide
• CAS No.: 1003-85-6
• Molecular Formula: C5H10 O3 S
• Molecular Weight: 150.199
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10905335
• Mol file: 1003-85-6.mol

Synonyms:BRN 1237699;2,2-Dimethyl-1,3-propanediol cyclic sulfite;1,3-Propanediol, 2,2-dimethyl-, cyclic sulfite;1,3,2-DIOXATHIANE, 4,4-DIMETHYL-, 2-OXIDE;DTXSID10905335;LS-62451;4,4-Dimethyl-[1,3,2]dioxathiane 2-oxide;4,4-Dimethyl-1,3,2lambda~4~-dioxathian-2-one;4-01-00-02552 (Beilstein Handbook Reference)

Chemical Property of 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide

Chemical Property:

• Vapor Pressure: 0.707mmHg at 25°C
• Boiling Point: 191.7°Cat760mmHg
• Flash Point: 69.7°C
• PSA: 54.74000
• Density: 1.29g/cm³
• LogP: 1.64630
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 150.03506535
• Heavy Atom Count: 9
• Complexity: 132

Purity/Quality:

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

5,5-Dimethyl-1,3,2-dioxathiane2-oxide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCOS(=O)O1)C

Technology Process of 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide

There total 2 articles about 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide 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: 95.0%

2,2-Dimethyl-1,3-propanediol (126-30-7) → 5.5-dimethyl-1,3,2-dioxathiane-2-oxide (1003-85-6)

Guidance literature:

With diisopropyl sulfite; sodium t-butanolate; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1080/00397919708003344

Reference yield:

→ 5.5-dimethyl-1,3,2-dioxathiane-2-oxide (1003-85-6)

Guidance literature:

entspr. Diol, SOCl2;

Reference yield:

5.5-dimethyl-1,3,2-dioxathiane-2-oxide (1003-85-6) → 6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizine (133111-56-5)

Guidance literature:

Multi-step reaction with 4 steps

1.1: dimethyl sulfoxide / 36 h / 100 °C

2.1: pyridine; thionyl chloride / 0 °C

3.1: diethyl ether / 2 h / Reflux

3.2: 3 h / Reflux

4.1: sodium hydrogencarbonate / ethanol / 36 h / 20 °C

With pyridine; thionyl chloride; sodium hydrogencarbonate; In diethyl ether; ethanol; dimethyl sulfoxide;

DOI:10.1016/j.ejmech.2011.01.002

upstream raw materials:

2,2-Dimethyl-1,3-propanediol

Downstream raw materials:

biphenyl

3-bromo-2,2-dimethyl-propan-1-ol

1,1'-sulfinylbisbenzene

5,5-dimethyl-1,3,2-dioxathiane-2,2-dioxide

Refernces

• 1、 Arbusov et al.. "". . p. 249. Retrieved 1967.
• 2、 -. "NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS". Page/Page column 85. . Retrieved 2013/10/21.
• 3、 Sund, Christian,Belda, Oscar,Borkakoti, Neera,Lindberg, Jimmy,Derbyshire, Dean,Vrang, Lotta,Hamelink, Elizabeth,Hgren, Cathrine,Woestenenk, Esmeralda,Wikstroem, Kristina,Eneroth, Anders,Lindstroem, Erik,Kalayanov, Genadiy. "Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7- tetrahydropyridinoazole templates". . p. 6721 - 6727,7. Retrieved 2012/12/12.