o-Methyl s-prop-2-en-1-yl carbonodithioate

Base Information

• Chemical Name: o-Methyl s-prop-2-en-1-yl carbonodithioate
• CAS No.: 6329-38-0
• Molecular Formula: C5H8 O S2
• Molecular Weight: 148.2464
• NSC Number: 43437
• DSSTox Substance ID: DTXSID20286006
• Wikidata: Q82021580

Synonyms:6329-38-0;o-methyl s-prop-2-en-1-yl carbonodithioate;NSC43437;SCHEMBL2789063;DTXSID20286006;NSC-43437

Chemical Property of o-Methyl s-prop-2-en-1-yl carbonodithioate

Chemical Property:

• Vapor Pressure: 0.894mmHg at 25°C
• Boiling Point: 186.8°Cat760mmHg
• Flash Point: 66.8°C
• Density: 1.127g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 148.00165722
• Heavy Atom Count: 8
• Complexity: 90.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=S)SCC=C

Technology Process of o-Methyl s-prop-2-en-1-yl carbonodithioate

There total 2 articles about o-Methyl s-prop-2-en-1-yl carbonodithioate 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:

3-chloroprop-1-ene (107-05-1) → S-Allyl-O-methyl xanthate (6329-38-0)

Guidance literature:

With acetone;

Reference yield:

methanol (67-56-1) + carbon disulfide (75-15-0,12122-00-8) + 3-chloroprop-1-ene (107-05-1) → S-Allyl-O-methyl xanthate (6329-38-0)

Guidance literature:

Multistep reaction; (i) aq. KOH, acetone, (ii) /BRN= 635704/;

Reference yield: 53.0%

1-benzyl-1H-pyrrole-2,5-dione (1631-26-1) + S-Allyl-O-methyl xanthate (6329-38-0) → Dithiocarbonic acid S-((3S,4R)-4-allyl-1-benzyl-2,5-dioxo-pyrrolidin-3-yl) ester O-methyl ester (121942-29-8)

Guidance literature:

With di-tert-butyl peroxide; In chlorobenzene; Heating;

DOI:10.1016/0040-4039(90)80126-7

upstream raw materials:

methanol

carbon disulfide

3-chloroprop-1-ene

Downstream raw materials:

Dithiocarbonic acid S-((3S,4R)-4-allyl-1-benzyl-2,5-dioxo-pyrrolidin-3-yl) ester O-methyl ester

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