3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide

Base Information

• Chemical Name: 3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide
• CAS No.: 57001-43-1
• Molecular Formula: C₁₁H₁₀N₂O₂S
• Molecular Weight: 234.279
• Hs Code.: 2930909090
• European Community (EC) Number: 860-094-1
• Mol file: 57001-43-1.mol

Synonyms:57001-43-1;3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanethioamide;3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide;3-(1,3-dioxoisoindol-2-yl)propanethioamide;MFCD02932980;3-phthalimidopropanethioamide;Oprea1_625970;SCHEMBL6988795;3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-thiopropionamide;HMS1591G18;AKOS000191924;CS-0117088;3-(1,3-dioxoisoindolin-2-yl)propanethioamide;EN300-55131;VU0048014-1;SR-01000268333;SR-01000268333-1;F3284-7348;3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide #;Propanethioamide, 3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-

Chemical Property of 3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide

Chemical Property:

• Melting Point: 187-189 °C
• Boiling Point: 416.8±47.0 °C(Predicted)
• PKA: 13.03±0.29(Predicted)
• PSA: 100.03000
• Density: 1.417±0.06 g/cm3(Predicted)
• LogP: 1.61740
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 234.04629874
• Heavy Atom Count: 16
• Complexity: 319

Purity/Quality:

99% ^*data from raw suppliers

3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=S)N

Technology Process of 3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide

There total 1 articles about 3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide 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%

3-phthalimidopropionitrile (3589-45-5) → 3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-thiopropionamide (57001-43-1)

Guidance literature:

With hydrogenchloride; O,O-Diethyl hydrogen phosphorodithioate; In ethyl acetate; at 20 ℃; for 6h;

DOI:10.1016/S0968-0896(02)00557-6

Reference yield:

3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-thiopropionamide (57001-43-1) + N-[4-(5-oxo-2,3,4,5-tetrahydro-1H-benzazepine-1-carbonyl)phenyl]biphenyl-2-carboxamide (168626-54-8) → 4'-[(2-aminoethyl-5,6-dihydro-4H-thiazolo[5,4-d][1]benzazepin-6-yl)carbonyl]-2-phenylbenzanilide hydrochloride

Guidance literature:

Reference yield:

3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-thiopropionamide (57001-43-1) + 2-chloro-3',4'-dihydroxyacetophenone (99-40-1) → N-{2-[4-(3,4-dihydroxy-phenyl)-thiazol-2-yl]-ethyl}-phthalimide (858009-09-3)

Guidance literature:

DOI:10.1021/ja01355a040

upstream raw materials:

3-phthalimidopropionitrile

Downstream raw materials:

N-{2-[4-(3,4-dihydroxy-phenyl)-thiazol-2-yl]-ethyl}-phthalimide

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