tert-Butyl[(Z)-1-propenyl] sulfide

Base Information

• Chemical Name: tert-Butyl[(Z)-1-propenyl] sulfide
• CAS No.: 89795-31-3
• Molecular Formula: C₇H₁₄S
• Molecular Weight: 130.254
• NSC Number: 99123
• DSSTox Substance ID: DTXSID70418916
• Nikkaji Number: J1.868.780A
• Wikidata: Q82229647
• Mol file: 89795-31-3.mol

Synonyms:NSC99123;89795-31-3;SCHEMBL16479748;DTXSID70418916;NSC-99123;tert-Butyl[(Z)-1-propenyl] sulfide

Chemical Property of tert-Butyl[(Z)-1-propenyl] sulfide

Chemical Property:

• Vapor Pressure: 2.81mmHg at 25°C
• Boiling Point: 162.6°Cat760mmHg
• Flash Point: 42.2°C
• Density: 0.858g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 130.08162162
• Heavy Atom Count: 8
• Complexity: 76.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CSC(C)(C)C
• Isomeric SMILES: C/C=C\SC(C)(C)C

Technology Process of tert-Butyl[(Z)-1-propenyl] sulfide

There total 3 articles about tert-Butyl[(Z)-1-propenyl] sulfide 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: 92.0%

allyl tert-butyl sulfide (37850-75-2) → t-Butyl-propenyl-sulfid (89795-31-3)

Guidance literature:

(carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); In benzene; for 3h; Heating;

DOI:10.1016/S0022-328X(02)02111-3

Reference yield:

allyl tert-butyl sulfide (37850-75-2) → 2-methyl-2-propylsulfanyl-propane (926-40-9) + t-Butyl-propenyl-sulfid (89795-31-3)

Guidance literature:

With hydrogen; ruthenium(IV) oxide; In methanol; at 60 ℃; for 48h; under 6080 Torr;

DOI:10.1080/00397919608003694

Reference yield:

allyl tert-butyl sulfide (37850-75-2) + sodium ethanolate (141-52-6) → t-Butyl-propenyl-sulfid (89795-31-3)

Guidance literature:

Isomerisierung;

DOI:10.1021/ja01591a063

upstream raw materials:

allyl tert-butyl sulfide

sodium ethanolate

Downstream raw materials:

2-methyl-2-propylsulfanyl-propane