Cas no 54646-36-5 (1-Propanol, 3-methoxy-, 4-methylbenzenesulfonate)

1-Propanol, 3-methoxy-, 4-methylbenzenesulfonate is a specialized organic compound commonly utilized as an intermediate in synthetic chemistry. Its structure combines a methoxypropanol backbone with a 4-methylbenzenesulfonate (tosylate) ester group, making it a versatile reagent for nucleophilic substitution reactions. The tosylate moiety serves as an excellent leaving group, facilitating efficient transformations in organic synthesis. This compound is particularly valued for its stability, ease of handling, and compatibility with a range of reaction conditions. It is often employed in the preparation of ethers, esters, and other functionalized derivatives, offering synthetic chemists a reliable building block for complex molecule assembly.

1-Propanol, 3-methoxy-, 4-methylbenzenesulfonate structure

54646-36-5 structure

Product Name:1-Propanol, 3-methoxy-, 4-methylbenzenesulfonate

CAS No:54646-36-5

MF:C₁₁H₁₈O₅S

MW:262.322622776031

CID:354031

PubChem ID:57358231

Update Time:2025-06-07

1-Propanol, 3-methoxy-, 4-methylbenzenesulfonate Chemical and Physical Properties

Names and Identifiers

- 1-Propanol, 3-methoxy-, 4-methylbenzenesulfonate
- 3-methoxypropan-1-ol,4-methylbenzenesulfonic acid
- METHYOXYPROPYL-4-METHYLBENZOLSULFONATE
- 4-Methylbenzene-1-sulfonic acid--3-methoxypropan-1-ol (1/1)
- DTXSID00724057
- 54646-36-5
- Inchi： 1S/C7H8O3S.C4H10O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-6-4-2-3-5/h2-5H,1H3,(H,8,9,10);5H,2-4H2,1H3
- InChI Key： VHYWLOOFPXJPLK-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)O.O(C)CCCO

Computed Properties

Exact Mass: 262.08754
Monoisotopic Mass: 262.08749484g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 5
Heavy Atom Count: 17
Rotatable Bond Count: 4
Complexity: 228
Covalently-Bonded Unit Count: 2
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 92.2?2

Experimental Properties

PSA: 83.83

1-Propanol, 3-methoxy-, 4-methylbenzenesulfonate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Specification	Price	update time
Enamine	EN300-7211200-0.05g	3-methoxypropyl 4-methylbenzene-1-sulfonate	54646-36-5	0.05g	$323.0	2023-05-30
Enamine	EN300-7211200-0.1g	3-methoxypropyl 4-methylbenzene-1-sulfonate	54646-36-5	0.1g	$339.0	2023-05-30
Enamine	EN300-7211200-0.25g	3-methoxypropyl 4-methylbenzene-1-sulfonate	54646-36-5	0.25g	$354.0	2023-05-30
Enamine	EN300-7211200-0.5g	3-methoxypropyl 4-methylbenzene-1-sulfonate	54646-36-5	0.5g	$370.0	2023-05-30
Enamine	EN300-7211200-1.0g	3-methoxypropyl 4-methylbenzene-1-sulfonate	54646-36-5	1g	$385.0	2023-05-30
Enamine	EN300-7211200-2.5g	3-methoxypropyl 4-methylbenzene-1-sulfonate	54646-36-5	2.5g	$754.0	2023-05-30
Enamine	EN300-7211200-5.0g	3-methoxypropyl 4-methylbenzene-1-sulfonate	54646-36-5	5g	$1115.0	2023-05-30
Enamine	EN300-7211200-10.0g	3-methoxypropyl 4-methylbenzene-1-sulfonate	54646-36-5	10g	$1654.0	2023-05-30