Trisulfide, bis(1,1-dimethylethyl)

Base Information

• Chemical Name: Trisulfide, bis(1,1-dimethylethyl)
• CAS No.: 4253-90-1
• Molecular Formula: C8H18 S3
• Molecular Weight: 210.429
• Hs Code.: 2930909090
• European Community (EC) Number: 224-226-6
• DSSTox Substance ID: DTXSID9073339
• Nikkaji Number: J80.776A
• Wikidata: Q81977030
• Mol file: 4253-90-1.mol

Synonyms:4253-90-1;Trisulfide, bis(1,1-dimethylethyl);Di-tert-butyl trisulphide;2-(tert-butyltrisulfanyl)-2-methylpropane;EINECS 224-226-6;Di-t-butyl trisulfide;tert-Butyl trisulfide;Di-tert.-butyltrisulfid;Di-tert-butyl pertrisulfide;1,3-Ditert-butyltrisulfane #;SCHEMBL5812338;DI-TERT-BUTYL TRISULFIDE;DTXSID9073339;C8-H18-S3;2-tert-butylsulfanyldisulfanyl-2-methylpropane

Chemical Property of Trisulfide, bis(1,1-dimethylethyl)

Chemical Property:

• Vapor Pressure: 0.0127mmHg at 25°C
• Melting Point: 17.028 °C
• Boiling Point: 268.4°Cat760mmHg
• Flash Point: 106.7°C
• PSA: 75.90000
• Density: 1.038g/cm³
• LogP: 4.61300
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 210.05706409
• Heavy Atom Count: 11
• Complexity: 93.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)SSSC(C)(C)C

Technology Process of Trisulfide, bis(1,1-dimethylethyl)

There total 25 articles about Trisulfide, bis(1,1-dimethylethyl) 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%

2-methyl-2-propanethiosulfenyl chloride (6009-05-8) + 2-methylpropan-2-thiol (75-66-1) → di-tert-butyl trisulfide (4253-90-1)

Guidance literature:

With pyridine; In diethyl ether; for 0.5h;

DOI:10.1016/S0040-4039(00)73505-2

Reference yield: 93.0%

di-tert-butyl disulfide (110-06-5) → di-tert-butyl trisulfide (4253-90-1) + bis(2-methyl-2-propyl)tetrasulfide (5943-35-1) + tert-butyl tert-butanethiosulfinate (31562-40-0) + di-tert-butyl thiosulfonate (31562-41-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; Further byproducts given; 1.) 22 - 24 deg C, 30 min, 2.) reflux, 1 h;

DOI:10.1021/jo00241a025

Reference yield: 92.0%

t-butyl bromide (507-19-7) → di-tert-butyl trisulfide (4253-90-1)

Guidance literature:

With potassium 5-methyl-1,3,4-oxadiazole-2-thiolate; In water; at 25 ℃; for 0.5h;

DOI:10.1080/17415993.2016.1253696

upstream raw materials:

di-tert-butyl disulfide

2-methylpropan-2-thiol

Di-tert-butyl dithiosulfite

(disulfido)carbonic acid SS-tert-butyl ester O-methyl ester

Downstream raw materials:

Isobutane

Refernces

• 1、 Soleiman-Beigi, Mohammad,Yavari, Issa,Sadeghizadeh, Fatemeh. "A rapid, efficient and green procedure for transformation of alkyl halides/ tosylates to organochalcogens in water". supporting information. p. 41 - 44. Retrieved 2017/09/25.
• 2、 Banfield, Scott C.,Omori, Alvaro Takeo,Leisch, Hannes,Hudlicky, Tomas. "Unexpected reactivity of the Burgess reagent with thiols: Synthesis of symmetrical disulfides". . p. 4989 - 4992. Retrieved 2008/02/05.