Cas no 118202-59-8 (N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea)
N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea Chemical and Physical Properties
Names and Identifiers
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- Urea,N-(2-chloroethyl)-N'-[4-(1,1-dimethylethyl)phenyl]-
- 1-(4-tert-butylphenyl)-3-(2-chloroethyl)urea
- 4-tert-butyl-(3-(2-chloroethyl)ureido)benzene
- N-(4-TERT-BUTYLPHENYL)-N'-(2-CHLOROETHYL)UREA
- N-[4-(tert-Butyl)phenyl]-N'-(2-chloroethyl)urea
- tBCEU
- Urea, N-(2-chloroethyl)-N'-(4-(1,1-dimethylethyl)phenyl)-
- 1-[4-(tert-Butyl)phenyl]-3-(2-chloroethyl)urea
- 1-(tert-Butyl)-4-{[(2-chloroethyl)carbamoyl]amino}benzene
- SCHEMBL598010
- DTXSID70152040
- 118202-59-8
- MFCD00933173
- AKOS005072690
- FA-0806
- 4-t-butyl-[3-(2-chloroethyl)ureido]benzene
- 1-(4-(tert-Butyl)phenyl)-3-(2-chloroethyl)urea
- J-503212
- CS-0329412
- CHEMBL146303
- N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea
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- MDL： MFCD00933173
- Inchi： 1S/C13H19ClN2O/c1-13(2,3)10-4-6-11(7-5-10)16-12(17)15-9-8-14/h4-7H,8-9H2,1-3H3,(H2,15,16,17)
- InChI Key： LZYHJNCQMJNPKL-UHFFFAOYSA-N
- SMILES： ClCCNC(NC1C=CC(=CC=1)C(C)(C)C)=O
Computed Properties
- Exact Mass: 254.11877
- Monoisotopic Mass: 254.1185909g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 41.13
N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B810483-50mg |
N-[4-(tert-Butyl)phenyl]-N'-(2-chloroethyl)urea |
118202-59-8 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B810483-100mg |
N-[4-(tert-Butyl)phenyl]-N'-(2-chloroethyl)urea |
118202-59-8 | 100mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B810483-500mg |
N-[4-(tert-Butyl)phenyl]-N'-(2-chloroethyl)urea |
118202-59-8 | 500mg |
$ 185.00 | 2022-06-06 | ||
| Apollo Scientific | OR12159-1g |
1-[4-(tert-Butyl)phenyl]-3-(2-chloroethyl)urea |
118202-59-8 | 1g |
￡125.00 | 2023-09-02 | ||
| Apollo Scientific | OR12159-5g |
1-[4-(tert-Butyl)phenyl]-3-(2-chloroethyl)urea |
118202-59-8 | 5g |
￡285.00 | 2023-09-02 | ||
| Apollo Scientific | OR12159-10g |
1-[4-(tert-Butyl)phenyl]-3-(2-chloroethyl)urea |
118202-59-8 | 10g |
￡415.00 | 2023-09-02 | ||
| abcr | AB257624-1 g |
N-[4-(tert-Butyl)phenyl]-N'-(2-chloroethyl)urea, 95%; . |
118202-59-8 | 95% | 1 g |
€260.30 | 2023-07-20 | |
| abcr | AB257624-5 g |
N-[4-(tert-Butyl)phenyl]-N'-(2-chloroethyl)urea, 95%; . |
118202-59-8 | 95% | 5 g |
€696.70 | 2023-07-20 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1400082-1g |
1-(4-(Tert-butyl)phenyl)-3-(2-chloroethyl)urea |
118202-59-8 | 95+% | 1g |
￥1278.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1400082-5g |
1-(4-(Tert-butyl)phenyl)-3-(2-chloroethyl)urea |
118202-59-8 | 95+% | 5g |
￥3162.00 | 2024-08-09 |
N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea Suppliers
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N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
Additional information on N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea
Comprehensive Overview of N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea (CAS No. 118202-59-8)
N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea (CAS No. 118202-59-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This urea derivative is characterized by its unique molecular structure, featuring a tert-butylphenyl group and a chloroethyl moiety. Its chemical properties make it a valuable intermediate in the synthesis of more complex molecules, particularly in drug discovery and crop protection applications.
The compound's CAS number 118202-59-8 serves as a unique identifier in chemical databases, ensuring precise tracking and regulatory compliance. Researchers often search for "N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea synthesis" or "CAS 118202-59-8 applications" to explore its potential uses. Recent trends in sustainable chemistry have also sparked interest in greener synthesis methods for such urea derivatives, aligning with the global push for environmentally friendly industrial processes.
From a structural perspective, the tert-butyl group contributes to the compound's lipophilicity, while the chloroethyl segment offers reactivity for further functionalization. This combination makes N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea particularly useful in medicinal chemistry, where researchers investigate its potential as a building block for kinase inhibitors or other targeted therapies. The pharmaceutical industry's growing focus on personalized medicine has increased demand for such specialized intermediates.
In agrochemical applications, compounds with urea functionalities are frequently explored for their herbicidal or plant growth regulation properties. While CAS 118202-59-8 itself may not be a commercial agrochemical, its structural features make it relevant to ongoing research into novel crop protection agents. This aligns with current agricultural challenges such as pesticide resistance and the need for more selective, lower-residue solutions.
The analytical characterization of N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea typically involves techniques like HPLC, mass spectrometry, and NMR spectroscopy. Quality control is crucial for research-grade material, with purity specifications often exceeding 98%. Researchers frequently search for "CAS 118202-59-8 NMR data" or "HPLC methods for N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea" when working with this compound.
From a regulatory standpoint, proper handling of N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea requires standard laboratory safety practices. While not classified as hazardous under most jurisdictions, its chloroethyl component warrants careful handling. Material Safety Data Sheets (MSDS) for this compound provide essential information about storage conditions and personal protective equipment recommendations.
The commercial availability of CAS 118202-59-8 varies by region, with specialty chemical suppliers typically offering it in research quantities. Pricing trends reflect the compound's niche application status, with costs influenced by synthesis complexity and purity requirements. Procurement specialists often search for "N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea suppliers" or "bulk CAS 118202-59-8" when sourcing this material.
Recent scientific literature indicates growing interest in the potential biological activities of urea derivatives similar to N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea. Some studies suggest possible applications in neurodegenerative disease research or as modulators of protein-protein interactions. These emerging research directions contribute to the compound's relevance in contemporary drug discovery efforts.
For synthetic chemists, the preparation of N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea typically involves the reaction of 4-tert-butylaniline with 2-chloroethyl isocyanate. Process optimization for this synthesis remains an active area of investigation, particularly regarding yield improvement and waste reduction. Green chemistry principles are increasingly applied to such synthetic routes.
In summary, N-4-(tert-Butyl)phenyl-N'-(2-chloroethyl)urea (CAS No. 118202-59-8) represents an important building block in modern chemical research. Its unique structural features and potential applications in pharmaceuticals and agriculture ensure continued scientific and commercial interest. As research methodologies advance and new therapeutic targets emerge, compounds like this urea derivative will likely maintain their significance in the chemical sciences.
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