S-(3-(((4-Methylphenyl)(dioxido)sulfanyl)thio)propyl) 4-methylbenzenesulfonothioate

Base Information

• Chemical Name: S-(3-(((4-Methylphenyl)(dioxido)sulfanyl)thio)propyl) 4-methylbenzenesulfonothioate
• CAS No.: 3866-79-3
• Molecular Formula: C17H20 O4 S4
• Molecular Weight: 416.607
• Hs Code.: 2930909090
• NSC Number: 82472
• DSSTox Substance ID: DTXSID60191963
• Nikkaji Number: J79.868A
• Wikidata: Q72487743
• ChEMBL ID: CHEMBL1717071
• Mol file: 3866-79-3.mol

Synonyms:3866-79-3;NSC82472;S-(3-(((4-Methylphenyl)(dioxido)sulfanyl)thio)propyl) 4-methylbenzenesulfonothioate;MLS002694493;1-methyl-4-[3-(4-methylphenyl)sulfonylsulfanylpropylsulfanylsulfonyl]benzene;1,3-Bis(4-methylbenzenesulfonylthio)propane;1,3-Di(p-tosylthio)propane;1,3-Propanediyl di(thiotosylate);Trimethylene Bis(p-toluenethiosulfonate);s,s'-propane-1,3-diyl bis(4-methylbenzenesulfonothioate);S,S'-Trimethylene di(p-toluenethiosulfonate);1,3-ditosylmercaptopropane;1,3-Propanedithiolditosylate;1,3-Propanedithiol ditosylate;CHEMBL1717071;SCHEMBL14024173;DTXSID60191963;QOICHLMIPNOKLN-UHFFFAOYSA-N;HMS3086M11;MFCD00014918;NSC 82472;NSC-82472;SMR001560421;1,3-Propane-S,S'-di-4-toluenethiosulfonate;D2390;D90055;S,S-Trimethylene-1,3-bis(toluene-p-thiosulfate);S,S'-Trimethylene di(p-toluenethiosulfonate), >=97.0% (HPLC);1-methyl-4-[3-(p-tolylsulfonylsulfanyl)propylsulfanylsulfonyl]benzene;S-(3-([(4-Methylphenyl)(dioxido)sulfanyl]sulfanyl)propyl) 4-methylbenzenesulfonothioate #

Chemical Property of S-(3-(((4-Methylphenyl)(dioxido)sulfanyl)thio)propyl) 4-methylbenzenesulfonothioate

Chemical Property:

• Vapor Pressure: 2.22E-13mmHg at 25°C
• Melting Point: 64-67 °C
• Boiling Point: 592.3°Cat760mmHg
• Flash Point: 312°C
• PSA: 135.64000
• Density: 1.34g/cm³
• LogP: 6.39910
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 416.02444381
• Heavy Atom Count: 25
• Complexity: 534

Purity/Quality:

98%,99%, ^*data from raw suppliers

TrimethyleneDi(thiotosylate) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)SCCCSS(=O)(=O)C2=CC=C(C=C2)C
• Uses: Trimethylene Di(thiotosylate) is used as a reactant in the enantioselective total synthesis of (-)-O-methylpallidinine, which is a naturally occurring morphinan alkaloid.

Technology Process of S-(3-(((4-Methylphenyl)(dioxido)sulfanyl)thio)propyl) 4-methylbenzenesulfonothioate

There total 6 articles about S-(3-(((4-Methylphenyl)(dioxido)sulfanyl)thio)propyl) 4-methylbenzenesulfonothioate 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: 97.0%

sodium 4-methylbenzenesulfinate (824-79-3) + 1,3-dibromo-propane (109-64-8) → 1,3-bis(p-toluenesulfonylthio)propane (3866-79-3)

Guidance literature:

sodium 4-methylbenzenesulfinate; With pyridine; sulfur; for 48h;

In water; at 20 ℃; for 18h;

1,3-dibromo-propane; In toluene; for 20h; Further stages.; Heating;

DOI:10.1080/00397910701845308

Reference yield: 75.0%

1,2-dithiolane (557-22-2) + sodium 4-methylbenzenesulfinate (824-79-3) → 1,3-bis(p-toluenesulfonylthio)propane (3866-79-3)

Guidance literature:

With iodine; In dichloromethane; at 45 ℃; for 2h;

DOI:10.1055/s-2002-20031

Reference yield:

sodium 4-methylbenzenesulfonothioate (3753-27-3) + 1,3-dibromo-propane (109-64-8) → 1,3-bis(p-toluenesulfonylthio)propane (3866-79-3)

Guidance literature:

In ethanol; Heating;

DOI:10.1248/cpb.12.1271

upstream raw materials:

sodium 4-methylbenzenesulfonothioate

1,3-dibromo-propane

1.3-propanedithiol

p-toluenesulfonyl chloride

Downstream raw materials:

4-[1,3]dithian-2-yl-nicotinonitrile

(6'R)-7't-benzoylamino-3'-methyl-5't,8'-dioxo-(6'rH)-5'λ⁴-spiro[[1,3]dithiane-2,4'-(5-thia-1-aza-bicyclo[4.2.0]oct-2-ene)]-2'-carboxylic acid methyl ester

(6R,6'R)-7t,7't'-bis-benzoylamino-3,3'-dimethyl-5t,8,5't',8'-tetraoxo-4c,4'c'-propane-1,3-diylbissulfanyl-bis-((6rH)-5λ⁴-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid) dimethyl ester

(R)-2-(3-Methoxy-phenyl)-2-methyl-6,10-dithia-spiro[4.5]decan-1-one