3-Phthalimidopropylisothiouronium bromide

Base Information

• Chemical Name: 3-Phthalimidopropylisothiouronium bromide
• CAS No.: 63344-94-5
• Molecular Formula: C12H14BrN3O2S
• Molecular Weight: 344.2275
• DSSTox Substance ID: DTXSID30979472

Synonyms:63344-94-5;3-Phthalimidopropylisothiouronium bromide;{[3-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl]sulfanyl}methanimidamide hydrobromide;USAF A-317;SCHEMBL4313894;DTXSID30979472;Pseudourea, 2-(3-(phthalimido)propyl)-2-thio-, hydrobromide;3-(1,3-dioxoisoindolin-2-yl)propyl carbamimidothioate hydrobromide;MFCD01694555;3-(1,3-dioxoisoindol-2-yl)propyl carbamimidothioate;hydrobromide;3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl carbamimidothioate--hydrogen bromide (1/1)

Chemical Property of 3-Phthalimidopropylisothiouronium bromide

Chemical Property:

• Vapor Pressure: 6.12E-08mmHg at 25°C
• Boiling Point: 440°Cat760mmHg
• Flash Point: 219.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 342.99901
• Heavy Atom Count: 19
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC(=N)N.Br

Technology Process of 3-Phthalimidopropylisothiouronium bromide

There total 2 articles about 3-Phthalimidopropylisothiouronium bromide 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-(3-bromopropyl)isoindole-1,3-dione (5460-29-7) + thiourea (17356-08-0) → (3-phthalimidopropyl)isothiuronium hydrobromide (63344-94-5)

Guidance literature:

In ethanol; for 18h; Heating;

DOI:10.1016/j.bmc.2005.07.054

Reference yield:

→ (3-phthalimidopropyl)isothiuronium hydrobromide (63344-94-5)

Guidance literature:

Reference yield: 75.0%

(3-phthalimidopropyl)isothiuronium hydrobromide (63344-94-5) → 2-(3-mercaptopropyl)isoindoline-1,3-dione (39801-32-6)

Guidance literature:

With N,N-dimethylethylenediamine; In 1,4-dioxane; at 80 ℃; for 4h;

DOI:10.1021/jm00167a014

upstream raw materials:

2-(3-bromopropyl)isoindole-1,3-dione

thiourea

Downstream raw materials:

S-aminopropylisothiourea

2-(3-mercaptopropyl)isoindoline-1,3-dione

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