1,2,3,4-Tetrahydro-1-naphthalenylmethyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-1-naphthalenylmethyl 4-methylbenzenesulfonate
• CAS No.: 19063-23-1
• Molecular Formula: C₁₈H₂₀O₃S
• Molecular Weight: 316.421
• European Community (EC) Number: 662-787-2
• Mol file: 19063-23-1.mol

Synonyms:19063-23-1;(1,2,3,4-Tetrahydronaphthalen-1-yl)methyl 4-methylbenzenesulfonate;(1,2,3,4-tetrahydronaphthalen-1-yl)methyl 4-methylbenzene-1-sulfonate;1-tosyloxymethyltetraline;1,2,3,4-tetrahydro-1-naphthalenylmethyl 4-methylbenzenesulfonate;SCHEMBL7725242;AKOS024328261

Chemical Property of 1,2,3,4-Tetrahydro-1-naphthalenylmethyl 4-methylbenzenesulfonate

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 316.11331567
• Heavy Atom Count: 22
• Complexity: 445

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC3=CC=CC=C23

Technology Process of 1,2,3,4-Tetrahydro-1-naphthalenylmethyl 4-methylbenzenesulfonate

There total 3 articles about 1,2,3,4-Tetrahydro-1-naphthalenylmethyl 4-methylbenzenesulfonate 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: 61.0%

(1,2,3,4-tetrahydronaphthalen-4-yl)methanol (66377-63-7) + p-toluenesulfonyl chloride (98-59-9) → (1,2,3,4-tetrahydronaphthalen-1-yl)methyl 4-methylbenzenesulfonate (19063-23-1)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b01914

Reference yield:

tetralin-1-carboxylic acid (1914-65-4) → (1,2,3,4-tetrahydronaphthalen-1-yl)methyl 4-methylbenzenesulfonate (19063-23-1)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 20 °C / Inert atmosphere

2: triethylamine; dmap / dichloromethane / 2 h / 20 °C / Inert atmosphere

With dmap; lithium aluminium tetrahydride; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/acs.jmedchem.5b01914

Reference yield:

→ (1,2,3,4-tetrahydronaphthalen-1-yl)methyl 4-methylbenzenesulfonate (19063-23-1)

Guidance literature:

/BRN= 2705031/;

upstream raw materials:

(1,2,3,4-tetrahydronaphthalen-4-yl)methanol

p-toluenesulfonyl chloride

tetralin-1-carboxylic acid