Cas no 681465-85-0 (Methyl 4-amino-3-isopropoxybenzoate)
Methyl 4-amino-3-isopropoxybenzoate is a benzoate ester derivative featuring both amino and isopropoxy functional groups. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its structure allows for further functionalization, making it valuable for constructing complex molecules. The presence of the amino group enhances reactivity in coupling reactions, while the isopropoxy moiety contributes to steric and electronic modulation. The ester group provides a handle for hydrolysis or transesterification, broadening its utility. This compound is characterized by its stability under standard conditions and compatibility with a range of synthetic protocols, ensuring reliable performance in research and industrial processes.
681465-85-0 structure
Product Name:Methyl 4-amino-3-isopropoxybenzoate
CAS No:681465-85-0
MF:C11H15NO3
MW:209.241703271866
MDL:MFCD12168764
CID:1023144
PubChem ID:43380211
Update Time:2025-10-13
Methyl 4-amino-3-isopropoxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-amino-3-(1-methylethoxy)-, methyl ester (9CI)
- methyl 4-amino-3-isopropoxybenzoate
- AQIZZMSROAYWPJ-UHFFFAOYSA-N
- Methyl4-amino-3-propan-2-yloxy-benzoate
- methyl 4-amino-3-propan-2-yloxybenzoate
- AK457025
- 3-Isopropoxy-4-aminobenzoic acid methyl ester
- 4-Amino-3-isopropoxy-benzoic acid methyl ester
- Benzoic acid, 4-amino-3-(1-methylethoxy)-, methyl ester
- 681465-85-0
- AKOS009475848
- MFCD12168764
- 4-amino-3-isopropoxybenzoic acid methyl ester
- DS-18826
- CS-0160904
- A915303
- Methyl4-amino-3-isopropoxybenzoate
- C76159
- SB78587
- SCHEMBL3544032
- Benzoic acid,4-amino-3-(1-methylethoxy)-,methyl ester(9ci)
- DB-298000
- Methyl 4-amino-3-isopropoxybenzoate
-
- MDL： MFCD12168764
- Inchi： 1S/C11H15NO3/c1-7(2)15-10-6-8(11(13)14-3)4-5-9(10)12/h4-7H,12H2,1-3H3
- InChI Key： AQIZZMSROAYWPJ-UHFFFAOYSA-N
- SMILES： O(C1C=C(C(=O)OC)C=CC=1N)C(C)C
Computed Properties
- Exact Mass: 209.105
- Monoisotopic Mass: 209.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 218
- 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: 61.6
- XLogP3: 1.9
Experimental Properties
- Boiling Point: 348.8°C at 760 mmHg
Methyl 4-amino-3-isopropoxybenzoate Security Information
- Signal Word：Warning
- Hazard Statement： H302-H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Storage Condition：Keep in dark place,Inert atmosphere,2-8°C
Methyl 4-amino-3-isopropoxybenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019099262-5g |
Methyl 4-amino-3-isopropoxybenzoate |
681465-85-0 | 97% | 5g |
$659.32 | 2023-09-01 | |
| Alichem | A019099262-10g |
Methyl 4-amino-3-isopropoxybenzoate |
681465-85-0 | 97% | 10g |
$933.00 | 2023-09-01 | |
| Alichem | A019099262-25g |
Methyl 4-amino-3-isopropoxybenzoate |
681465-85-0 | 97% | 25g |
$1780.80 | 2023-09-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-PF258-250mg |
Methyl 4-amino-3-isopropoxybenzoate |
681465-85-0 | 97% | 250mg |
857CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-PF258-5g |
Methyl 4-amino-3-isopropoxybenzoate |
681465-85-0 | 97% | 5g |
6831CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-PF258-50mg |
Methyl 4-amino-3-isopropoxybenzoate |
681465-85-0 | 97% | 50mg |
226.0CNY | 2021-07-12 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-PF258-1g |
Methyl 4-amino-3-isopropoxybenzoate |
681465-85-0 | 97% | 1g |
1709.0CNY | 2021-07-12 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-PF258-200mg |
Methyl 4-amino-3-isopropoxybenzoate |
681465-85-0 | 97% | 200mg |
567.0CNY | 2021-07-12 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M35260-250mg |
Methyl 4-amino-3-isopropoxybenzoate |
681465-85-0 | 97% | 250mg |
￥604.0 | 2024-07-19 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M35260-1g |
Methyl 4-amino-3-isopropoxybenzoate |
681465-85-0 | 97% | 1g |
￥1513.0 | 2024-07-19 |
Methyl 4-amino-3-isopropoxybenzoate Related Literature
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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