2-Octyl-2-thiopseudourea hydrobromide

Base Information

• Chemical Name: 2-Octyl-2-thiopseudourea hydrobromide
• CAS No.: 4270-03-5
• Molecular Formula: C9H20 N2 S . Br H
• Molecular Weight: 269.249
• European Community (EC) Number: 694-480-4
• DSSTox Substance ID: DTXSID60962635
• NSC Number: 97225
• Mol file: 4270-03-5.mol

Synonyms:4270-03-5;2-OCTYL-2-THIOPSEUDOUREA HYDROBROMIDE;DTXSID60962635;NSC97225;NSC-97225;AKOS024332572;Octyl carbamimidothioate--hydrogen bromide (1/1)

Chemical Property of 2-Octyl-2-thiopseudourea hydrobromide

Chemical Property:

• Vapor Pressure: 0.00496mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 275.9°Cat760mmHg
• Flash Point: 120.6°C
• Density: 1.02g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 268.06088
• Heavy Atom Count: 13
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCSC(=N)N.Br

Technology Process of 2-Octyl-2-thiopseudourea hydrobromide

There total 1 articles about 2-Octyl-2-thiopseudourea hydrobromide 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: 95.0%

1-bromo-octane (111-83-1) + thiourea (17356-08-0) → 2-n-octylisothiourea hydrobromide (4270-03-5)

Guidance literature:

In ethanol; Reflux;

DOI:10.1080/00397911.2018.1557687

Reference yield: 95.0%

2-n-octylisothiourea hydrobromide (4270-03-5) → octane-1-sulfonyl chloride (7795-95-1)

Guidance literature:

With tert-butylhypochlorite; In water; acetonitrile; at 0 - 20 ℃;

DOI:10.1055/s-0034-1381024

Reference yield: 70.0%

Benzylidenemalononitrile (2700-22-3) + 2-n-octylisothiourea hydrobromide (4270-03-5) → 4-amino-2-(octylthio)-6-phenylpyrimidine-5-carbonitrile

Guidance literature:

With potassium carbonate; In isopropyl alcohol; Reflux;

DOI:10.1080/00397911.2018.1557687

upstream raw materials:

1-bromo-octane

thiourea

Downstream raw materials:

3-(octylthio)propanoic acid

octane-1-sulfonyl chloride

Refernces

• 1、 Qiu, Kui,Wang, Rennan. "Tert -Butyl Hypochlorite Mediated Oxidative Chlorination of S -Alkylisothiourea Salts: Synthesis of Sulfonyl Chlorides". . p. 3186 - 3190. Retrieved 2015/10/19.
• 2、 Sabirov, S. S.,Gnevasheva, L. M.,Ismailov, M. I.,Isobaev, M. D.. "SYNTHESIS OF MONO(ALKYLTHIO)-SUBSTITUTED KETONES". . p. 1239 - 1243. Retrieved 2007/10/02.