Cas no 870007-39-9 (4-tert-Butyl-2-ethoxy-benzoic Acid Methyl Ester)
4-tert-Butyl-2-ethoxy-benzoic Acid Methyl Ester is a specialized ester derivative of benzoic acid, featuring tert-butyl and ethoxy substituents at the 4- and 2-positions, respectively. This compound is primarily utilized in organic synthesis and pharmaceutical intermediates due to its structural versatility and reactivity. The tert-butyl group enhances steric stability, while the ethoxy moiety contributes to solubility and functional group compatibility. Its methyl ester form improves handling and reactivity in esterification and transesterification processes. This product is valued for its consistent purity and suitability in fine chemical applications, particularly where controlled substitution patterns are required. Proper storage under inert conditions is recommended to maintain stability.
870007-39-9 structure
Product Name:4-tert-Butyl-2-ethoxy-benzoic Acid Methyl Ester
CAS No:870007-39-9
MF:C14H20O3
MW:236.306804656982
MDL:MFCD11501371
CID:1083758
Update Time:2025-06-06
4-tert-Butyl-2-ethoxy-benzoic Acid Methyl Ester Chemical and Physical Properties
Names and Identifiers
-
- 4-tert-Butyl-2-ethoxybenzoic acid methyl ester
- 4-TERT BUTYL-2-ETHOXY BENZOIC ACID METHYL ESTER
- 4-TERT-BUTYL-2-ETHOXY-BENZOIC ACID METHYL ESTER
- methyl 4-tert-butyl-2-ethoxybenzoate
- 4-tert-Butyl-2-ethoxy-benzoic Acid Methyl Ester
-
- MDL： MFCD11501371
- Inchi： 1S/C14H20O3/c1-6-17-12-9-10(14(2,3)4)7-8-11(12)13(15)16-5/h7-9H,6H2,1-5H3
- InChI Key： MSBDQSVHWOJXCZ-UHFFFAOYSA-N
- SMILES： O(CC)C1=C(C(=O)OC)C=CC(=C1)C(C)(C)C
Computed Properties
- Exact Mass: 236.141
- Monoisotopic Mass: 236.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 255
- 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: 35.5A^2
4-tert-Butyl-2-ethoxy-benzoic Acid Methyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B789803-10mg |
4-tert-Butyl-2-ethoxy-benzoic Acid Methyl Ester |
870007-39-9 | 10mg |
$ 50.00 | 2022-04-27 | ||
| TRC | B789803-50mg |
4-tert-Butyl-2-ethoxy-benzoic Acid Methyl Ester |
870007-39-9 | 50mg |
$ 115.00 | 2022-04-27 | ||
| TRC | B789803-100mg |
4-tert-Butyl-2-ethoxy-benzoic Acid Methyl Ester |
870007-39-9 | 100mg |
$ 185.00 | 2022-04-27 | ||
| Alichem | A019104230-1g |
4-tert-Butyl-2-ethoxy-benzoic acid methyl ester |
870007-39-9 | 95% | 1g |
$323.73 | 2023-08-31 | |
| Alichem | A019104230-5g |
4-tert-Butyl-2-ethoxy-benzoic acid methyl ester |
870007-39-9 | 95% | 5g |
$999.60 | 2023-08-31 | |
| eNovation Chemicals LLC | D767376-100mg |
4-TERT-BUTYL-2-ETHOXY-BENZOIC ACID METHYL ESTER |
870007-39-9 | 95% | 100mg |
$160 | 2024-06-06 | |
| eNovation Chemicals LLC | D767376-250mg |
4-TERT-BUTYL-2-ETHOXY-BENZOIC ACID METHYL ESTER |
870007-39-9 | 95% | 250mg |
$225 | 2024-06-06 | |
| eNovation Chemicals LLC | D767376-1g |
4-TERT-BUTYL-2-ETHOXY-BENZOIC ACID METHYL ESTER |
870007-39-9 | 95% | 1g |
$420 | 2024-06-06 | |
| eNovation Chemicals LLC | D767376-5g |
4-TERT-BUTYL-2-ETHOXY-BENZOIC ACID METHYL ESTER |
870007-39-9 | 95% | 5g |
$1220 | 2024-06-06 | |
| eNovation Chemicals LLC | D767376-10g |
4-TERT-BUTYL-2-ETHOXY-BENZOIC ACID METHYL ESTER |
870007-39-9 | 95% | 10g |
$2310 | 2024-06-06 |
4-tert-Butyl-2-ethoxy-benzoic Acid Methyl Ester Related Literature
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
870007-39-9 (4-tert-Butyl-2-ethoxy-benzoic Acid Methyl Ester) Related Products
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