Tert-butyl Dithiobenzoate

Base Information

• Chemical Name: Tert-butyl Dithiobenzoate
• CAS No.: 5925-55-3
• Molecular Formula: C11H14S2
• Molecular Weight: 210.364
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80432825
• Nikkaji Number: J1.367.753K
• Wikidata: Q82246939
• Mol file: 5925-55-3.mol

Synonyms:Tert-butyl Dithiobenzoate;tert-butyl benzodithioate;5925-55-3;TERT-BUTYL BENZENECARBODITHIOATE;t-butyl dithiobenzoate;2-Methyl-2-propylbenzodithiolate;SCHEMBL236901;DTXSID80432825;NNADJWNJTLVMSL-UHFFFAOYSA-N;CS-0111116

Chemical Property of Tert-butyl Dithiobenzoate

Chemical Property:

• Boiling Point: 105 °C(Press: 0.5 Torr)
• PSA: 57.39000
• Density: 1.093±0.06 g/cm3(Predicted)
• LogP: 3.89380
• Sensitive.: light sensitive, store cold
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 210.05369279
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

98%, ^*data from raw suppliers

2-Methyl-2-propylbenzodithiolate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)SC(=S)C1=CC=CC=C1

Technology Process of Tert-butyl Dithiobenzoate

There total 14 articles about Tert-butyl Dithiobenzoate 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: 90.0%

sodium tert-butyl thiolate (29364-29-2) + Carboxymethyl dithiobenzoate (942-91-6) → Dithiobenzoesaeure-tert-butylester (5925-55-3)

Guidance literature:

With sodium hydroxide; In diethyl ether; water; at 20 ℃; for 5h;

Reference yield: 90.0%

2-methylpropan-2-thiol (75-66-1) + Carboxymethyl dithiobenzoate (942-91-6) → Dithiobenzoesaeure-tert-butylester (5925-55-3)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 15h;

DOI:10.1021/ma049757r

Reference yield: 90.0%

O-(1-(N,4-dimethylphenylsulfonamido)vinyl) benzothioate + 2-methylpropan-2-thiol (75-66-1) → Dithiobenzoesaeure-tert-butylester (5925-55-3)

Guidance literature:

With caesium carbonate; In acetonitrile; for 0.0833333h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.0c02402

upstream raw materials:

tertiary butyl chloride

dithiobenzoic acid sodium salt

S-tert-butyl benzothioate

Bis(dithiobenzoic)thioanhydride

Downstream raw materials:

tert-butyl methyl sulphide

methyl dithiobenzoate

diphenyl acetylene

methyl thiobenzoate

Refernces

• 1、 Yao, Chaochao,Yang, Jinhua,Lu, Xiaobiao,Zhang, Shuyu,Zhao, Junfeng. "Ynamide-Mediated Thionoester and Dithioester Syntheses". supporting information. p. 6628 - 6631. Retrieved 2020/09/02.
• 2、 Chong, Bill Y. K.,Krstina, Julia,Le, Tam P.T.,Moad, Graeme,Postma, Almar,Rizzardo, Ezio,Thang, San H.. "Thiocarbonylthio compounds [S=C(Ph)S-R) in free radical polymerization with reversible addition-fragmentation chain transfer (RAFT polymerization). Role of the free-radical leaving group (R)". . p. 2256 - 2272. Retrieved 2007/10/03.