trans-2-Methyl-4-propyl-1,3-oxathiane

Base Information

• Chemical Name: trans-2-Methyl-4-propyl-1,3-oxathiane
• CAS No.: 59324-17-3
• Deprecated CAS: 94669-63-3
• Molecular Formula: C8H16OS
• Molecular Weight: 160.27704
• European Community (EC) Number: 261-700-1
• UNII: 5AFX6I408R
• DSSTox Substance ID: DTXSID5051496
• Nikkaji Number: J304.848I
• Wikidata: Q27261746
• Mol file: 59324-17-3.mol

Synonyms:trans-2-Methyl-4-propyl-1,3-oxathiane;59324-17-3;(2R,4R)-2-methyl-4-propyl-1,3-oxathiane;2-Methyl-4-propyl-1,3-oxathiane, trans-;UNII-5AFX6I408R;1,3-Oxathiane, 2-methyl-4-propyl-, (2R,4R)-rel-;5AFX6I408R;1,3-Oxathiane, 2-methyl-4-propyl-, trans-;EINECS 261-700-1;AI3-37117;C8H16OS;2-Methyl-4-propyl-trans-1,3-Oxathiane;(E)-galbanum oxathiane;trans - 2 - methyl - 4 - propyl - 1,3 - oxathiane;DTXSID5051496;SCHEMBL19924614;FEMA NO. 3578, TRANS-;2beta-Methyl-4alpha-propyl-1,3-oxathiane;trans-2-methyl-4-n-propyl-1,3-oxathiane;Q27261746;(+/-)-TRANS-2-METHYL-4-PROPYL-1,3-OXATHIANE;TRANS-2-METHYL-4-PROPYL-1,3-OXATHIANE, (+/-)-

Chemical Property of trans-2-Methyl-4-propyl-1,3-oxathiane

Chemical Property:

• Vapor Pressure: 0.123mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 226.5°C at 760 mmHg
• Flash Point: 90.8°C
• PSA: 34.53000
• Density: 0.937g/cm³
• LogP: 2.65460
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 160.09218630
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1CCOC(S1)C
• Isomeric SMILES: CCC[C@@H]1CCO[C@H](S1)C

Technology Process of trans-2-Methyl-4-propyl-1,3-oxathiane

There total 24 articles about trans-2-Methyl-4-propyl-1,3-oxathiane 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:

→ 2-methyl-4-n-propyl-1,3-oxathiane (67715-80-4,59323-76-1,59324-17-3)

Guidance literature:

Reference yield:

(2R,3R)-2,3-epoxy-1-hexanol (92418-71-8) → (2S,4R)-2-methyl-4-propyl-1,3-oxathiane (90243-47-3,59323-76-1,59324-17-3)

Guidance literature:

Multi-step reaction with 3 steps

1: thiourea / aq. H₂SO₄ / 0.17 h / 5 °C

2: sodium bis(2-methoxyethoxy)aluminium hydride / tetrahydrofuran / 1 h / -15 °C

3: TsOH, molecula siever 4A / diethyl ether / 1.5 h

With toluene-4-sulfonic acid; thiourea; sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; diethyl ether; sulfuric acid;

DOI:10.1002/hlca.19840670405

Reference yield:

(2R,3R)-2,3-epoxy-1-hexanol (92418-71-8) → (2S,4S)-2-methyl-4-propyl-1,3-oxathiane (90243-45-1,59323-76-1,59324-17-3)

Guidance literature:

Multi-step reaction with 3 steps

1: thiourea / aq. H₂SO₄ / 0.17 h / 5 °C

2: sodium bis(2-methoxyethoxy)aluminium hydride / tetrahydrofuran / 1 h / -15 °C

3: TsOH, molecula siever 4A / diethyl ether / 1.5 h

With toluene-4-sulfonic acid; thiourea; sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; diethyl ether; sulfuric acid;

DOI:10.1002/hlca.19840670405

upstream raw materials:

(R)-(-)-3-mercaptohexan-1-ol

acetaldehyde

3-mercaptohex-1-yl acetate

(+)-(S)-3-mercaptohexan-1-ol

Refernces

• 1、 Heusinger, Georg,Mosandl, Armin. "CHIRALE, SCHWEFELHALTIGE AROMASTOFFE DER GELBEN PASSIONSFRUCHT (PASSIFLORA EDULIS F. FLAVICARPA). DARSTELLUNG DER ENANTIOMEREN UND ABSOLUTE KONFIGURATION". . p. 507 - 510. Retrieved 2007/10/02.
• 2、 -. "Oxathiane and oxathiolane derivatives as perfuming agents". . . Retrieved 2008/06/13.