4-Tert-butylphenyl methanesulfonate

Base Information

• Chemical Name: 4-Tert-butylphenyl methanesulfonate
• CAS No.: 59970-38-6
• Molecular Formula: C₁₁H₁₆O₃S
• Molecular Weight: 228.312
• European Community (EC) Number: 660-068-8
• Nikkaji Number: J2.623.995H
• Mol file: 59970-38-6.mol

Synonyms:4-tert-butylphenyl methanesulfonate;4-t-butylphenyl methanesulfonate;59970-38-6;SCHEMBL2990592;AVIDGKOMVYPADX-UHFFFAOYSA-N;4-(tert-Butyl)phenyl methanesulfonate;AKOS024339561

Chemical Property of 4-Tert-butylphenyl methanesulfonate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.08201554
• Heavy Atom Count: 15
• Complexity: 287

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C

Technology Process of 4-Tert-butylphenyl methanesulfonate

There total 2 articles about 4-Tert-butylphenyl methanesulfonate 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: 100.0%

para-tert-butylphenol (98-54-4) + methanesulfonyl chloride (124-63-0) → 4-tert-butylphenyl mesylate (59970-38-6)

Guidance literature:

With triethylamine; In ethyl acetate; at 0 - 20 ℃; for 0.166667h; Green chemistry;

DOI:10.1055/s-0034-1378867

Reference yield: 56.0%

para-tert-butylphenol (98-54-4) → 4-tert-butylphenyl mesylate (59970-38-6)

Guidance literature:

DOI:10.1039/c0pp00284d

Reference yield: 99.0%

4-tert-butylphenyl mesylate (59970-38-6) + aniline (62-53-3) → 4-tert-butyldiphenylamine (4496-49-5)

Guidance literature:

With water; potassium carbonate; palladium diacetate; dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine; In tert-butyl alcohol; at 110 ℃; for 4h; Product distribution / selectivity; Inert atmosphere;

upstream raw materials:

para-tert-butylphenol

methanesulfonyl chloride

Downstream raw materials:

l-(tert-butyl)-4-(4-nitrophenoxy)benzene

1-(4-(tert-butyl)phenoxy)-2-nitrobenzene

4-tert-butylbenzoic acid butyl ester

4-tert-butyldiphenylamine

Refernces

• 1、 Lei, Xiangyang,Jalla, Anusha,Abou Shama, Mhd A.,Stafford, Jamie M.,Cao, Billy. "Chromatography-Free and Eco-Friendly Synthesis of Aryl Tosylates and Mesylates". supporting information. p. 2578 - 2585. Retrieved 2015/09/01.
• 2、 Chow, Wing Kin,So, Chau Ming,Lau, Chak Po,Kwong, Fuk Yee. "Palladium-catalyzed borylation of aryl mesylates and tosylates and their applications in one-pot sequential suzuki-miyaura biaryl synthesis". supporting information; experimental part. p. 6913 - 6917. Retrieved 2011/08/03.