Cas no 6627-89-0 (Tert-Butyl phenyl carbonate)
Tert-Butyl phenyl carbonate Chemical and Physical Properties
Names and Identifiers
-
- tert-Butyl phenyl carbonate
- ert-Butyl phenyl carbonate
- (tert-butoxycarbonyloxy)benzene
- 1-tert-butoxycarbonyloxybenzene
- O-Boc-phenol
- phenyl tert-butyl carbonate
- tBuOC(O)OPh
- t-Butyl phenyl carbonate
- Carbonic Acid tert-Butyl Phenyl Ester
- Carbonicacid, tert-butyl phenyl ester (6CI)
- NSC60248
- tert-Butylphenyl carbonate
- tert-Butylphenylcarbonate
- 2-Methyl-2-propanyl phenyl carbonate
- Carbonic acid, 1,1-dimethylethyl phenyl ester
- UXWVQHXKKOGTSY-UHFFFAOYSA-N
- t-butylphenyl carbonate
- PubChem13300
- phenyl t-butyl carbonate
- UXWVQHXKKOGTSY-UHFFFAOYSA-
- BCP2231
- 6627-89-0
- FT-0763068
- B3590
- NSC 60248
- NSC-60248
- BCP22318
- EN300-1696955
- SCHEMBL82142
- I10205
- AC-6298
- 1,1-DIMETHYLETHYL PHENYL CARBONATE
- CS-W010657
- UNII-DP3JXG8MSN
- DP3JXG8MSN
- tert-Butyl phenyl carbonate, 98%
- SY012265
- AKOS007930895
- NS00035999
- EINECS 229-601-8
- J-509941
- Carbonic acidtert-butyl esterphenyl ester
- InChI=1/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3
- MFCD00008804
- DTXSID90216471
- BBL101729
- STL555526
- DTXCID90138962
- Carbonic Acid tert-Butyl Phenyl Ester; 1,1-Dimethylethyl Phenyl Carbonate; 1-tert-Butoxycarbonyloxybenzene; NSC 60248; Phenyl tert-Butyl Carbonate;
- Tert-Butyl phenyl carbonate
-
- MDL: MFCD00008804
- Inchi: 1S/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3
- InChI Key: UXWVQHXKKOGTSY-UHFFFAOYSA-N
- SMILES: O(C(=O)OC1C=CC=CC=1)C(C)(C)C
- BRN: 2361602
Computed Properties
- Exact Mass: 194.09400
- Monoisotopic Mass: 194.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 187
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.1
- Topological Polar Surface Area: 35.5
Experimental Properties
- Color/Form: Pale yellow liquid
- Density: 1.05?g/mL?at 20?°C(lit.)
- Boiling Point: 78°C/0.5mmHg(lit.)
- Flash Point: Fahrenheit: 213.8 ° f < br / > Celsius: 101 ° C < br / >
- Refractive Index: 1.48
- Water Partition Coefficient: Slightly soluble in water.
- PSA: 35.53000
- LogP: 3.00050
- Solubility: Not determined
Tert-Butyl phenyl carbonate Security Information
- Signal Word:Warning
- Hazard Statement: H315-H319-H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Safety Instruction: S23-S24/25
- FLUKA BRAND F CODES:21
- Safety Term:S23;S24/25
- Storage Condition:Inert atmosphere,Room Temperature
Tert-Butyl phenyl carbonate Customs Data
- HS CODE:2920909090
- Customs Data:
China Customs Code:
2920909090Overview:
2920909090 Other inorganic esters(Esters excluding hydrogen halide)(Including its salts and their halogenation,sulfonation,Nitration and nitrosation derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%
Tert-Butyl phenyl carbonate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E121591-100g |
Tert-Butyl phenyl carbonate |
6627-89-0 | 98% | 100g |
¥465.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E121591-25g |
Tert-Butyl phenyl carbonate |
6627-89-0 | 98% | 25g |
¥127.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E121591-5g |
Tert-Butyl phenyl carbonate |
6627-89-0 | 98% | 5g |
¥62.90 | 2023-09-03 | |
| Fluorochem | 044604-10g |
tert-Butylphenylcarbonate |
6627-89-0 | 95% | 10g |
£12.00 | 2022-03-01 | |
| Fluorochem | 044604-25g |
tert-Butylphenylcarbonate |
6627-89-0 | 95% | 25g |
£27.00 | 2022-03-01 | |
| Fluorochem | 044604-100g |
tert-Butylphenylcarbonate |
6627-89-0 | 95% | 100g |
£77.00 | 2022-03-01 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | H60867-25g |
tert-Butyl phenyl carbonate, 97% |
6627-89-0 | 97% | 25g |
41.60 | 2021-05-24 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | H60867-100g |
tert-Butyl phenyl carbonate, 97% |
6627-89-0 | 97% | 100g |
155.00 | 2021-05-24 | |
| Chemenu | CM254400-500g |
tert-Butyl phenyl carbonate |
6627-89-0 | 95+% | 500g |
$337 | 2021-06-16 | |
| Alichem | A019110467-500g |
tert-Butyl phenyl carbonate |
6627-89-0 | 98% | 500g |
$363.60 | 2023-09-01 |
Tert-Butyl phenyl carbonate Suppliers
Tert-Butyl phenyl carbonate Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
Additional information on Tert-Butyl phenyl carbonate
Recent Advances in the Application of Tert-Butyl Phenyl Carbonate (CAS 6627-89-0) in Chemical Biology and Pharmaceutical Research
Tert-Butyl phenyl carbonate (CAS 6627-89-0) has recently emerged as a versatile reagent in chemical biology and pharmaceutical synthesis. This compound, characterized by its tert-butyloxycarbonyl (Boc) protecting group attached to a phenyl carbonate moiety, has shown significant utility in organic synthesis, particularly in the protection of amines and hydroxyl groups. Recent studies have highlighted its role in the development of novel drug candidates and its application in peptide synthesis, where it serves as an efficient protecting group that can be removed under mild acidic conditions.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated the effectiveness of Tert-Butyl phenyl carbonate in the synthesis of protease inhibitors. The researchers utilized this reagent to protect key amino groups during the synthesis of novel HIV-1 protease inhibitors, achieving higher yields and improved purity compared to traditional protection methods. The study also noted the compound's stability under various reaction conditions, making it particularly valuable for multi-step synthetic processes.
In the field of prodrug development, recent research has explored the potential of Tert-Butyl phenyl carbonate as a promoiety for phenolic drugs. A 2024 publication in Bioorganic & Medicinal Chemistry Letters reported on its use in creating carbonate prodrugs of phenolic compounds, which showed enhanced solubility and improved pharmacokinetic properties. The study found that the tert-butyl carbonate group could be efficiently cleaved by esterases in vivo, releasing the active drug molecule while maintaining good stability in the gastrointestinal tract.
From a safety and toxicological perspective, new data has emerged regarding the handling and storage of Tert-Butyl phenyl carbonate. A 2023 safety assessment published in Chemical Research in Toxicology confirmed its relatively low acute toxicity (LD50 > 2000 mg/kg in rats) but noted the importance of proper ventilation when handling the compound in powder form due to potential respiratory irritation. These findings have important implications for industrial-scale pharmaceutical manufacturing processes utilizing this reagent.
Recent advances in green chemistry have also incorporated Tert-Butyl phenyl carbonate as an environmentally benign alternative to more hazardous carbonate-forming reagents. A 2024 study in Green Chemistry demonstrated its use in solvent-free reactions for carbonate formation, achieving high atom economy and reducing waste generation. The researchers highlighted the compound's potential to contribute to more sustainable pharmaceutical manufacturing processes.
Looking forward, the unique properties of Tert-Butyl phenyl carbonate (CAS 6627-89-0) position it as a valuable tool in the development of next-generation therapeutics. Its dual functionality as both a protecting group and a prodrug moiety, combined with its favorable safety profile and synthetic versatility, suggest it will continue to play an important role in pharmaceutical research and development. Ongoing studies are exploring its applications in targeted drug delivery systems and as a component of self-immolative linkers in antibody-drug conjugates.
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