Cas no 173406-17-2 (Tert-Butyl 3-iodobenzoate)
Tert-Butyl 3-iodobenzoate is a versatile organic compound commonly employed as an intermediate in synthetic organic chemistry. Its key advantages include the presence of both an ester group and an iodine substituent, which facilitate further functionalization through cross-coupling reactions such as Suzuki or Sonogashira couplings. The tert-butyl ester moiety enhances stability, making it suitable for storage and handling under standard conditions. This compound is particularly useful in pharmaceutical and materials science research, where precise aromatic modifications are required. Its well-defined reactivity and compatibility with various reaction conditions make it a valuable building block for constructing complex molecular architectures.
Tert-Butyl 3-iodobenzoate structure
Product Name:Tert-Butyl 3-iodobenzoate
CAS No:173406-17-2
MF:C11H13IO2
MW:304.124195814133
MDL:MFCD18837617
CID:1024489
PubChem ID:18386959
Update Time:2025-06-07
Tert-Butyl 3-iodobenzoate Chemical and Physical Properties
Names and Identifiers
-
- tert-Butyl 3-iodobenzoate
- 1,1-dimethylethyl 3-iodobenzoate
- 3-iodobenzoic acid t-butyl ester
- 3-iodobenzoic acid tert-butyl ester
- t-Butyl 3-iodobenzoate
- tert-butyl m-iodobenzoate
- tert-butyl-3-iodobenzoate
- t-butyl-3-iodobenzoate
- XZUWLKIILSZGIR-UHFFFAOYSA-N
- ST24025897
- V3787
- Benzoic acid, 3-iodo-, 1,1-dimethylethyl ester
- CS-0102178
- SCHEMBL1417078
- YGA40617
- tert-Butyl3-iodobenzoate
- AS-41938
- C11H13IO2
- DTXSID40593340
- AKOS013212032
- DA-09307
- A881773
- MFCD18837617
- 173406-17-2
- Tert-Butyl 3-iodobenzoate
-
- MDL： MFCD18837617
- Inchi： 1S/C11H13IO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,1-3H3
- InChI Key： XZUWLKIILSZGIR-UHFFFAOYSA-N
- SMILES： IC1=CC=CC(=C1)C(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 303.99600
- Monoisotopic Mass: 303.99603g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 208
- 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: 4.4
- Topological Polar Surface Area: 26.3
Experimental Properties
- PSA: 26.30000
- LogP: 3.24650
Tert-Butyl 3-iodobenzoate Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Tert-Butyl 3-iodobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 216108-250mg |
tert-Butyl 3-iodobenzoate |
173406-17-2 | 95% | 250mg |
￡51.00 | 2022-02-28 | |
| Fluorochem | 216108-1g |
tert-Butyl 3-iodobenzoate |
173406-17-2 | 95% | 1g |
￡104.00 | 2022-02-28 | |
| Fluorochem | 216108-5g |
tert-Butyl 3-iodobenzoate |
173406-17-2 | 95% | 5g |
￡411.00 | 2022-02-28 | |
| Alichem | A019093263-1g |
tert-Butyl 3-iodobenzoate |
173406-17-2 | 95% | 1g |
235.71 USD | 2021-06-17 | |
| Alichem | A019093263-5g |
tert-Butyl 3-iodobenzoate |
173406-17-2 | 95% | 5g |
772.74 USD | 2021-06-17 | |
| Chemenu | CM156514-5g |
tert-Butyl 3-iodobenzoate |
173406-17-2 | 95% | 5g |
$673 | 2021-06-17 | |
| TRC | B700355-50mg |
tert-Butyl 3-Iodobenzoate |
173406-17-2 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B700355-100mg |
tert-Butyl 3-Iodobenzoate |
173406-17-2 | 100mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B700355-500mg |
tert-Butyl 3-Iodobenzoate |
173406-17-2 | 500mg |
$ 210.00 | 2022-06-06 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T33310-1g |
tert-Butyl 3-iodobenzoate |
173406-17-2 | 96% | 1g |
￥275.0 | 2024-07-18 |
Tert-Butyl 3-iodobenzoate Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
173406-17-2 (Tert-Butyl 3-iodobenzoate) Related Products
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- 111160-45-3(Benzoic acid, 4-iodo-, 1-methylethyl ester)
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- 388613-52-3(Ethyl 3,5-diiodobenzoate)
- 58313-23-8(Ethyl 3-iodobenzoate)
- 333428-70-9(Benzoic acid, 3-iodo-, 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester)
- 136618-42-3(Benzyl 4-iodobenzoate)
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