(2-Oxidanyl-2-phenyl-ethyl) 4-methylbenzenesulfonate

Base Information

• Chemical Name: (2-Oxidanyl-2-phenyl-ethyl) 4-methylbenzenesulfonate
• CAS No.: 40348-74-1
• Molecular Formula: C₁₅H₁₆O₄S
• Molecular Weight: 292.356
• DSSTox Substance ID: DTXSID701205244
• Nikkaji Number: J1.315.469D,J65.129J
• Mol file: 40348-74-1.mol

Synonyms:40348-74-1;2-[(4-methylbenzenesulfonyl)oxy]-1-phenylethan-1-ol;(2-oxidanyl-2-phenyl-ethyl) 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid (2-hydroxy-2-phenylethyl) ester;MFCD00236055;(2-hydroxy-2-phenylethyl) 4-methylbenzenesulfonate;1-Phenyl-2-(tosyloxy)ethanol;SCHEMBL4920359;DTXSID701205244;AKOS030228433;SB44487;SB45325;SY062188;FT-0605037;FT-0605242;2-hydroxy-2-phenyl ethyl p-toluene sulfonate;A825103;A825104;p-Toluenesulfonic acid (R)-beta-hydroxyphenethyl ester;1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate)

Chemical Property of (2-Oxidanyl-2-phenyl-ethyl) 4-methylbenzenesulfonate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 292.07693016
• Heavy Atom Count: 20
• Complexity: 373

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)OCC(C2=CC=CC=C2)O

Technology Process of (2-Oxidanyl-2-phenyl-ethyl) 4-methylbenzenesulfonate

There total 5 articles about (2-Oxidanyl-2-phenyl-ethyl) 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: 99.0%

phenylethane 1,2-diol (93-56-1) + p-toluenesulfonyl chloride (98-59-9) → toluene-4-sulfonic acid 2-hydroxy-2-phenylethyl ester (40434-87-5,40435-14-1,127911-68-6,40348-74-1)

Guidance literature:

With triethylamine; di(n-butyl)tin oxide; In dichloromethane; at 20 ℃; for 0.833333h;

DOI:10.1021/ja016031r

Reference yield: 82.0%

phenylethane 1,2-diol (93-56-1) + p-toluenesulfonyl chloride (98-59-9) → 1,2-bis(tosyloxy)-1-phenylethane (1886-71-1) + toluene-4-sulfonic acid 2-hydroxy-2-phenylethyl ester (40434-87-5,40435-14-1,127911-68-6,40348-74-1)

Guidance literature:

With triethylamine; In dichloromethane; for 19h;

DOI:10.1021/ol990658l

Reference yield:

(+/-)4-phenyl-2,2-di-n-butyl-1,3,2-dioxa stannolan (61235-70-9) + p-toluenesulfonyl chloride (98-59-9) → toluene-4-sulfonic acid 2-hydroxy-2-phenylethyl ester (40434-87-5,40435-14-1,127911-68-6,40348-74-1)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1021/ja016031r

upstream raw materials:

styrene oxide

toluene-4-sulfonic acid

phenylethane 1,2-diol

p-toluenesulfonyl chloride

Downstream raw materials:

C₂₁H₃₀O₄SSi

styrene oxide

2-azido-1-phenylethan-1-ol

(S)-1-phenyl-2-(tosyloxy)ethanol