Cas no 276669-75-1 (Carbamic acid, (3-boronophenyl)-, C-(phenylmethyl) ester (9CI))
Carbamic acid, (3-boronophenyl)-, C-(phenylmethyl) ester (9CI) is a boronic acid derivative with potential applications in organic synthesis and medicinal chemistry. The presence of both a carbamate and a phenylboronic acid moiety makes it a versatile intermediate for cross-coupling reactions, such as Suzuki-Miyaura couplings, enabling the formation of carbon-carbon bonds. The phenylmethyl ester group enhances stability while allowing selective deprotection when needed. This compound is particularly useful in the development of bioactive molecules, including enzyme inhibitors and receptor modulators, due to its ability to interact with biological targets via the boronic acid functionality. Its well-defined structure ensures reproducibility in synthetic applications.
276669-75-1 structure
Product Name:Carbamic acid, (3-boronophenyl)-, C-(phenylmethyl) ester (9CI)
CAS No:276669-75-1
MF:C14H14BNO4
MW:271.076263904572
CID:6028184
PubChem ID:9860259
Update Time:2025-06-07
Carbamic acid, (3-boronophenyl)-, C-(phenylmethyl) ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, (3-boronophenyl)-, C-(phenylmethyl) ester (9CI)
- EN300-6422044
- Carbamic acid, (3-boronophenyl)-, C-(phenylmethyl) ester
- (3-(((Benzyloxy)carbonyl)amino)phenyl)boronic acid
- DTXSID101201044
- (3-{[(benzyloxy)carbonyl]amino}phenyl)boronic acid
- BDBM39834
- 276669-75-1
- SCHEMBL3780832
-
- Inchi： 1S/C14H14BNO4/c17-14(20-10-11-5-2-1-3-6-11)16-13-8-4-7-12(9-13)15(18)19/h1-9,18-19H,10H2,(H,16,17)
- InChI Key： AJTRWBVITPPCGD-UHFFFAOYSA-N
- SMILES： N(C1C=CC=C(C=1)B(O)O)C(=O)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 271.1015881g/mol
- Monoisotopic Mass: 271.1015881g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 308
- 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: 78.8?2
Experimental Properties
- Density: 1.28±0.1 g/cm3(Predicted)
- pka: 8.22±0.10(Predicted)
Carbamic acid, (3-boronophenyl)-, C-(phenylmethyl) ester (9CI) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-6422044-0.05g |
(3-{[(benzyloxy)carbonyl]amino}phenyl)boronic acid |
276669-75-1 | 95.0% | 0.05g |
$468.0 | 2025-03-15 | |
| Enamine | EN300-6422044-0.1g |
(3-{[(benzyloxy)carbonyl]amino}phenyl)boronic acid |
276669-75-1 | 95.0% | 0.1g |
$490.0 | 2025-03-15 | |
| Enamine | EN300-6422044-0.25g |
(3-{[(benzyloxy)carbonyl]amino}phenyl)boronic acid |
276669-75-1 | 95.0% | 0.25g |
$513.0 | 2025-03-15 | |
| Enamine | EN300-6422044-0.5g |
(3-{[(benzyloxy)carbonyl]amino}phenyl)boronic acid |
276669-75-1 | 95.0% | 0.5g |
$535.0 | 2025-03-15 | |
| Enamine | EN300-6422044-1.0g |
(3-{[(benzyloxy)carbonyl]amino}phenyl)boronic acid |
276669-75-1 | 95.0% | 1.0g |
$557.0 | 2025-03-15 | |
| Enamine | EN300-6422044-2.5g |
(3-{[(benzyloxy)carbonyl]amino}phenyl)boronic acid |
276669-75-1 | 95.0% | 2.5g |
$1089.0 | 2025-03-15 | |
| Enamine | EN300-6422044-5.0g |
(3-{[(benzyloxy)carbonyl]amino}phenyl)boronic acid |
276669-75-1 | 95.0% | 5.0g |
$1614.0 | 2025-03-15 | |
| Enamine | EN300-6422044-10.0g |
(3-{[(benzyloxy)carbonyl]amino}phenyl)boronic acid |
276669-75-1 | 95.0% | 10.0g |
$2393.0 | 2025-03-15 |
Carbamic acid, (3-boronophenyl)-, C-(phenylmethyl) ester (9CI) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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