Tert-butyl methylsulfanylformate

Base Information

• Chemical Name: Tert-butyl methylsulfanylformate
• CAS No.: 29518-83-0
• Molecular Formula: C6H12O2S
• Molecular Weight: 148.226
• Hs Code.: 2930909090
• NSC Number: 91016
• DSSTox Substance ID: DTXSID90293621
• Wikidata: Q82032487
• Mol file: 29518-83-0.mol

Synonyms:tert-butyl methylsulfanylformate;29518-83-0;NSC91016;SCHEMBL4376025;DTXSID90293621;NSC-91016

Chemical Property of Tert-butyl methylsulfanylformate

Chemical Property:

• Vapor Pressure: 1.24mmHg at 25°C
• Boiling Point: 173.9°Cat760mmHg
• Flash Point: 62.9°C
• PSA: 51.60000
• Density: 1.021g/cm³
• LogP: 2.28450
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 148.05580079
• Heavy Atom Count: 9
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)SC

Technology Process of Tert-butyl methylsulfanylformate

There total 3 articles about Tert-butyl methylsulfanylformate 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:

carbon oxide sulfide (463-58-1) + sodium t-butanolate (865-48-5) + methyl iodide (74-88-4) → S-Methyl-monothiokohlensaeure-tert.-butylester (29518-83-0)

Guidance literature:

Multistep reaction; (i) , (ii) /BRN= 969135/;

DOI:10.1021/ja01496a018

Reference yield:

methylthiol (74-93-1) + tert-butyl chloroformate (24608-52-4) → S-Methyl-monothiokohlensaeure-tert.-butylester (29518-83-0)

Guidance literature:

With pyridine;

DOI:10.1039/P29790000497

Reference yield:

→ S-Methyl-monothiokohlensaeure-tert.-butylester (29518-83-0)

Guidance literature:

Methylchlorothiolformat, tert.-Butylalkohol, Py., sd. Chlf., 24 h;

upstream raw materials:

methylthiol

tert-butyl chloroformate

carbon oxide sulfide

sodium t-butanolate

Downstream raw materials:

t-butoxycarbonylhydrazine

1,2-bis(t-butyloxycarbonyl)hydrazine

1-tert.-Butoxycarbonyl-1-allyl-4-phenyl-thiosemicarbazid

1-tert.-Butoxycarbonyl-1-methyl-4-phenyl-thiosemicarbazid