Cas no 78888-18-3 (Tert-Butyl allylcarbamate)
Tert-Butyl allylcarbamate Chemical and Physical Properties
Names and Identifiers
-
- tert-Butyl allylcarbamate
- tert-Butyl N-Allylcarbamate
- N-tert-butoxycarbonylprop-2-en-1-amine
- N-Allylcarbamic Acid tert-Butyl Ester
- N-Boc-allylamine
- N-(tert-Butoxycarbonyl)allylamine
- t-butyl N-allylcarbamate
- tert-butyl N-(prop-2-en-1-yl)carbamate
- Carbamic acid, 2-propenyl-, 1,1-dimethylethyl ester
- Tert-butyl N-prop-2-enylcarbamate
- N-Allyl-t-butylcarbamate
- allyl(tert-butyl)carbamate
- tert-butyl-N-allylcarbamate
- N-tertbutoxycarbonyl allyl amine
- N-tert-butoxycarb
- MFCD00191870
- tert-Butyl hydrogen prop-2-en-1-ylcarbonimidate
- B3618
- 78888-18-3
- 22815-62-9
- allyl carbamic acid tert-butyl ester
- 2-propenyl-carbamic acid 1,1-dimethylethyl ester
- DTXSID30945490
- AM804359
- AWARHXCROCWEAK-UHFFFAOYSA-N
- CS-W007444
- 3-(t-butoxycarbonylamino)-1-propene
- EN300-98377
- FT-0678101
- SCHEMBL262291
- 3-t-Butoxycarbonylamino-1-propene
- tert-Butylallylcarbamate
- allyl-carbamic acid tert-butyl ester
- PK04_181038
- AKOS005255351
- GS-3542
- N-tert-butoxycarbonyl allyl amine
- tert-Butyl N-allylcarbamate, 98%
- 1,1-Dimethylethyl N-2-propen-1-ylcarbamate (ACI)
- Carbamic acid, 2-propenyl-, 1,1-dimethylethyl ester (9CI)
- 1,1-Dimethylethyl N-allylcarbamate
- 3-(tert-Butoxycarbonylamino)-1-propene
- Allylcarbamic acid tert-butyl ester
- Boc-allylamine
- N-(tert-Butyloxycarbonyl)allylamine
- DB-031909
- Tert-Butyl allylcarbamate
-
- MDL: MFCD00191870
- Inchi: 1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10)
- InChI Key: AWARHXCROCWEAK-UHFFFAOYSA-N
- SMILES: O=C(NCC=C)OC(C)(C)C
Computed Properties
- Exact Mass: 157.11000
- Monoisotopic Mass: 157.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 147
- 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
- Topological Polar Surface Area: 38.3
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 1.6
Experimental Properties
- Color/Form: Not determined
- Density: 0.938?g/mL?at 25?°C(lit.)
- Melting Point: 37.0 to 41.0 deg-C
- Boiling Point: 48-50°C/0.3mm
- Flash Point: 175?°F
- Refractive Index: 1.4720 (estimate)
- Water Partition Coefficient: Insoluble in water. Soluble in methanol.
- PSA: 38.33000
- LogP: 2.08800
- Solubility: Not determined
Tert-Butyl allylcarbamate Security Information
- Signal Word:Warning
- Hazard Statement: H302
- Warning Statement: P280-P305+P351+P338
- Hazardous Material transportation number:UN 1325 4.1/PG 2
- WGK Germany:3
- Hazard Category Code: 22-36/37/38
- Safety Instruction: 22-26-36/37/39
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:Inert atmosphere,Room Temperature
Tert-Butyl allylcarbamate Customs Data
- HS CODE:2924199090
- Customs Data:
China Customs Code:
2924199090Overview:
2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
Tert-Butyl allylcarbamate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 023768-25g |
Tert-Butyl allylcarbamate |
78888-18-3 | 97% | 25g |
1461CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-IV464-1g |
Tert-Butyl allylcarbamate |
78888-18-3 | 98% | 1g |
47CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-IV464-25g |
Tert-Butyl allylcarbamate |
78888-18-3 | 98% | 25g |
330CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-IV464-5g |
Tert-Butyl allylcarbamate |
78888-18-3 | 98% | 5g |
92CNY | 2021-05-10 | |
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | S68132-5g |
Tert-Butyl N-Allylcarbamate |
78888-18-3 | 97% | 5g |
¥50.00 | 2021-09-02 | |
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | S68132-25g |
Tert-Butyl N-Allylcarbamate |
78888-18-3 | 97% | 25g |
¥180.00 | 2021-09-02 | |
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | S68132-100g |
Tert-Butyl N-Allylcarbamate |
78888-18-3 | 97% | 100g |
¥680.00 | 2021-09-02 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T73580-5g |
tert-Butyl allylcarbamate |
78888-18-3 | 97% | 5g |
¥27.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T73580-25g |
tert-Butyl allylcarbamate |
78888-18-3 | 97% | 25g |
¥79.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T73580-100g |
tert-Butyl allylcarbamate |
78888-18-3 | 97% | 100g |
¥281.0 | 2023-09-06 |
Tert-Butyl allylcarbamate Production Method
Production Method 1
Production Method 2
Production Method 3
Production Method 4
Production Method 5
Production Method 6
1.2 Reagents: Water
Production Method 7
1.2 -
1.3 Solvents: Dichloromethane
Production Method 8
Production Method 9
Production Method 10
Production Method 11
Production Method 12
Production Method 13
Production Method 14
Production Method 15
Production Method 16
Production Method 17
Tert-Butyl allylcarbamate Raw materials
Tert-Butyl allylcarbamate Preparation Products
Tert-Butyl allylcarbamate Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
Additional information on Tert-Butyl allylcarbamate
Introduction to Tert-Butyl allylcarbamate (CAS No. 78888-18-3)
Tert-Butyl allylcarbamate, with the chemical formula CAS No. 78888-18-3, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of carbamates, characterized by the presence of a carbamate functional group (-NHCOO-) linked to a tert-butyl group and an allyl moiety. The unique structural features of Tert-Butyl allylcarbamate make it a versatile intermediate in synthetic chemistry, particularly in the development of novel agrochemicals and pharmaceuticals.
The synthesis of Tert-Butyl allylcarbamate typically involves the reaction between allyl alcohol and tert-butyl carbamate under controlled conditions. This process requires precise control of reaction parameters such as temperature, pressure, and catalyst selection to ensure high yield and purity. The tert-butyl group provides steric hindrance, which can influence the reactivity and selectivity of the compound in subsequent synthetic steps. This characteristic makes it particularly valuable in constructing complex molecular architectures.
In recent years, Tert-Butyl allylcarbamate has been explored for its potential applications in drug discovery. Its structural motif is reminiscent of biologically active molecules, making it a promising scaffold for developing new therapeutic agents. For instance, researchers have investigated its role as a precursor in the synthesis of protease inhibitors, which are crucial in treating various inflammatory and infectious diseases. The allyl group also offers opportunities for further functionalization, allowing chemists to tailor the compound for specific biological targets.
One of the most intriguing aspects of Tert-Butyl allylcarbamate is its utility in cross-coupling reactions. These reactions are fundamental in modern organic synthesis, enabling the formation of carbon-carbon bonds under mild conditions. The compound has been employed in palladium-catalyzed reactions to introduce new functional groups at desired positions, facilitating the construction of more complex molecules. Such methodologies are increasingly important in pharmaceutical research, where precision and efficiency are paramount.
The pharmacological potential of Tert-Butyl allylcarbamate has also been examined in preclinical studies. Researchers have demonstrated its ability to modulate certain enzyme activities, which could lead to novel therapeutic applications. For example, studies suggest that derivatives of this compound may exhibit inhibitory effects on enzymes involved in cancer cell proliferation. While further research is needed to fully elucidate its mechanism of action, these findings highlight its promise as a lead compound for drug development.
From an industrial perspective, Tert-Butyl allylcarbamate represents an important building block for fine chemicals and specialty materials. Its versatility allows it to be incorporated into various formulations, including agrochemicals that enhance crop protection and yield. The demand for high-quality intermediates like Tert-Butyl allylcarbamate continues to grow as industries seek innovative solutions to complex challenges.
The safety and environmental considerations associated with Tert-Butyl allylcarbamate are also critical factors in its application. As with any chemical product, proper handling procedures must be followed to ensure worker safety and minimize environmental impact. Regulatory agencies have established guidelines for its use, emphasizing the importance of responsible chemical management throughout its lifecycle.
In conclusion, Tert-Butyl allylcarbamate (CAS No. 78888-18-3) is a multifaceted compound with significant potential in pharmaceutical research and industrial applications. Its unique structural features enable diverse synthetic pathways, making it a valuable tool for chemists and researchers alike. As our understanding of its properties continues to evolve, so too will its role in advancing scientific discovery and technological innovation.
78888-18-3 (Tert-Butyl allylcarbamate) Related Products
- 144019-19-2(Carbamic acid,N-(2E)-2-buten-1-yl-, 1,1-dimethylethyl ester)
- 157424-76-5(tert-butyl N-(2E)-penta-2,4-dien-1-ylcarbamate)
- 146394-99-2(Tert-Butyl (4-aminobut-2-en-1-yl)carbamate)
- 157372-85-5(Carbamic acid,2,4-pentadienyl-, 1,1-dimethylethyl ester (9CI))
- 144019-14-7(Carbamic acid,N-(2Z)-2-buten-1-yl-, 1,1-dimethylethyl ester)
- 144019-21-6(Carbamic acid, 2-hexenyl-, 1,1-dimethylethyl ester, (Z)- (9CI))
- 167845-56-9(1-N-Boc-2-cis-butene-1,4-diamine)
- 179923-07-0(Carbamic acid,N-(2E)-2-penten-1-yl-, 1,1-dimethylethyl ester)
- 131971-66-9(Carbamic acid,2-butenyl-, 1,1-dimethylethyl ester (9CI))
- 144019-26-1(Carbamic acid,(3-methyl-2-butenyl)-, 1,1-dimethylethyl ester (9CI))