Tolpentamide

Base Information

• Chemical Name: Tolpentamide
• CAS No.: 1027-87-8
• Molecular Formula: C₁₃H₁₈N₂O₃S
• Molecular Weight: 282.364
• Hs Code.: 2935009090
• European Community (EC) Number: 669-112-0
• UNII: 4G278XM8KC
• DSSTox Substance ID: DTXSID6046395
• Nikkaji Number: J9.478A
• Wikidata: Q27259545
• NCI Thesaurus Code: C73143
• ChEMBL ID: CHEMBL2107629
• Mol file: 1027-87-8.mol

Synonyms:Tolpentamide;1027-87-8;Tolpentamide [INN:BAN];1-cyclopentyl-3-(4-methylphenyl)sulfonylurea;UNII-4G278XM8KC;4G278XM8KC;DTXSID6046395;1-Cyclopentyl-3-p-tolylsulfonylurea;NCGC00164498-01;NCGC00164498-02;DTXCID4026395;CAS-1027-87-8;TOLPENTAMIDE [INN];Oprea1_524931;SCHEMBL2109411;CHEMBL2107629;Tox21_112136;AKOS024337774;Tox21_112136_1;Urea, 1-cyclopentyl-3-(p-tolylsulfonyl)-;N-(4-Methylbenzolsulfonyl)-N'-cyclopentylharnstoff;SR-01000944911;SR-01000944911-1;Q27259545;Benzenesulfonamide, N-[(cyclopentylamino)carbonyl]-4-methyl-;1-({[(cyclopentylamino)carbonyl]amino}sulfonyl)-4-methylbenzene

Chemical Property of Tolpentamide

Chemical Property:

• Refractive Index: 1.6360 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 87.14000
• Density: 1.29g/cm³
• LogP: 3.60160
• Water Solubility.: 74.78mg/L(37 oC)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 282.10381361
• Heavy Atom Count: 19
• Complexity: 402

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-CYCLOPENTYL-3-(P-TOSYL)UREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCC2

Technology Process of Tolpentamide

There total 4 articles about Tolpentamide 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:

N-cyclopentyl-N'-(toluene-4-sulfonyl)-thiourea (101265-27-4) → N-p-Tolylsulfonyl-N'-cyclopentyl-harnstoff (1027-87-8)

Guidance literature:

With dihydrogen peroxide;

Reference yield:

cyclopentyl isothiocyanate (33522-03-1) → N-p-Tolylsulfonyl-N'-cyclopentyl-harnstoff (1027-87-8)

Guidance literature:

Multi-step reaction with 2 steps

2: H₂O₂

With dihydrogen peroxide;

Reference yield:

toluene-4-sulfonamide (70-55-3) → N-p-Tolylsulfonyl-N'-cyclopentyl-harnstoff (1027-87-8)

Guidance literature:

Multi-step reaction with 2 steps

2: H₂O₂

With dihydrogen peroxide;

upstream raw materials:

N-cyclopentyl-N'-(toluene-4-sulfonyl)-thiourea

cyclopentyl isothiocyanate

toluene-4-sulfonamide

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