3-Butynyl 4-methylbenzenesulfonate

CAS

23418-85-1

Catalog Number

ACM23418851

Category

Other Products

Molecular Weight

224.28

Molecular Formula

C₁₁H₁₂O₃S

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

3-Butynyl p-toluenesulfonate, 518727_ALDRICH, NSC116062, SBB008912, ZINC01705574, 23418-85-1

IUPAC Name

but-3-ynyl 4-methylbenzenesulfonate

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC#C

InChI Key

STOASOOVVADOKH-UHFFFAOYSA-N

Boiling Point

352ºC at 760mmHg

Flash Point

110ºC

Density

1.012

Appearance

Clear slightly yellow liquid

Exact Mass

224.05100

Hazard Statements

Xn:Harmful;

H-Bond Acceptor

H-Bond Donor

Safety Description

S26-S37/39

WGK Germany

Upstream Synthesis Route 1

98-59-9
927-74-2

23418-85-1

Reference: [1] Nucleosides and Nucleotides, 1994, vol. 13, # 9, p. 2021 - 2034

Upstream Synthesis Route 2

121-44-8
98-59-9
927-74-2

23418-85-1
554-68-7

Reference: [1] Patent: WO2004/29066, 2004, A2, . Location in patent: Page/Page column 215

Upstream Synthesis Route 3

98-68-0
927-74-2

23418-85-1

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 24, p. 7003 - 7006

Downstream Synthesis Route 1

23418-85-1

43001-25-8

Reference: [1]Current Patent Assignee: MERCK & CO INC - WO2009/143049, 2009, A1
Location in patent: Page/Page column 216-217
[2]Eglinton; Whiting
[Journal of the Chemical Society, 1950, p. 3650,3655]
[3]Sato, Yoshihiro; Sodeoka, Mikiko; Shibasaki, Masakatsu
[Journal of Organic Chemistry, 1989, vol. 54, # 20, p. 4738 - 4739]

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

Recommended Products