(Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate

• CAS: 31618-90-3
• Catalog Number: ACM31618903
• Category: Other Organic Phosphine Compounds
• Molecular Weight: 322.31
• Molecular Formula: C12H19O6PS
• Synonyms: Diethyl (tosyloxy)methylphosphonate
• Boiling Point: 137°C at 0.02mmHg (lit.)
• Melting Point: 441.7±28.0°C
• Appearance: liquid
• MDL Number: MFCD03412078
• Physical State: Liquid

Custom Q&A

What is the molecular formula of (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate?

The molecular formula is C12H19O6PS.

When was (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate created?

It was created on September 13, 2005.

What is the molecular weight of (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate?

The molecular weight is 322.32 g/mol.

What is the InChI of (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate?

The InChI is InChI=1S/C12H19O6PS/c1-4-16-19(13,17-5-2)10-18-20(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3.

How many hydrogen bond acceptors does (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate have?

It has 6 hydrogen bond acceptors.

What is the topological polar surface area of (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate?

The topological polar surface area is 87.3Ų.

Does (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate have any defined atom stereocenters?

No, it does not have any defined atom stereocenters.

How many rotatable bonds does (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate have?

It has 8 rotatable bonds.

What is the Isotope Atom Count of (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate?

The Isotope Atom Count is 0.

Is (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 3084-40-0
• 98-59-9

• 31618-90-3

Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994, # 11, p. 1477 - 1482

Upstream Synthesis Route 2

• 50-00-0
• 762-04-9
• 98-59-9

• 31618-90-3

Reference: [1] Patent: WO2005/51298, 2005, A2, . Location in patent: Page/Page column 251

Upstream Synthesis Route 3

• 3084-40-0

• 31618-90-3

Reference: [1] Patent: WO2008/56264, 2008, A2, . Location in patent: Page/Page column 71-72

Downstream Synthesis Route 1

• 31618-90-3
• 14047-28-0

• 180587-75-1

Reference: [1]Patent: CN110452269,2019,A .Location in patent: Paragraph 0053; 0056; 0058; 0061; 0063; 0066

Downstream Synthesis Route 2

• 31618-90-3

• 10419-77-9

Reference: [1]Jones, David J.; O'Leary, Eileen M.; O'Sullivan, Timothy P.
[Beilstein Journal of Organic Chemistry, 2019, vol. 15, p. 801 - 810]
[2]Balczewski; Pietrzykowski
[Tetrahedron, 1997, vol. 53, # 21, p. 7291 - 7304]
[3]Jia, Xue-Shun; Wang, Xian-Liang; Xiao, Jun-Zhao; Yin, Liang; Yin, Xing-Hao
[Chinese Journal of Chemistry, 2021, vol. 39, # 7, p. 1916 - 1922]

Downstream Synthesis Route 3

• 31618-90-3
• 707-99-3

• 106941-25-7

Reference: [1]Tetrahedron Letters,1998,vol. 39,p. 1853 - 1856

* For details of the synthesis route, please refer to the original source to ensure accuracy.