- From N-H Nitration to Controllable Aromatic Mononitration and Dinitration-The Discovery of a Versatile and Powerful N-Nitropyrazole Nitrating ReagentYang, Tao; Li, Xiaoqian; Deng, Shuang; Qi, Xiaotian ; Cong, Hengjiang ; et al, JACS Au, 2022, 2(9), 2152-2161
Cas no 112239-00-6 (Methyl 2-iodo-5-nitrobenzoate)
Methyl 2-iodo-5-nitrobenzoate structure
Product Name:Methyl 2-iodo-5-nitrobenzoate
CAS No:112239-00-6
MF:C8H6INO4
MW:307.042014598846
MDL:MFCD12172544
CID:1024481
PubChem ID:11415548
Update Time:2025-04-20
Methyl 2-iodo-5-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-iodo-5-nitrobenzoate
- 2-iodo-5-nitro-benzoic acid methyl ester
- 2-Jod-5-nitro-benzoesaeure-methylester
- ACMC-2099dj
- AGN-PC-008NQH
- ANW-16421
- Benzoic acid, 2-iodo-5-nitro-, methyl ester
- CTK0G1555
- SureCN5713274
- 112239-00-6
- A894627
- DTXSID30465224
- CS-0131324
- SCHEMBL5713274
- Methyl 2-iodo-5-nitro-benzoate
- DB-351872
- AS-44472
- AKOS009471095
- Methyl2-iodo-5-nitrobenzoate
- INEMMZILZDRYJK-UHFFFAOYSA-N
- SY239833
- MFCD12172544
-
- MDL: MFCD12172544
- Inchi: 1S/C8H6INO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
- InChI Key: INEMMZILZDRYJK-UHFFFAOYSA-N
- SMILES: IC1=CC=C(C=C1C(=O)OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 306.93368
- Monoisotopic Mass: 306.93416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 240
- 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: 2.6
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- PSA: 69.44
Methyl 2-iodo-5-nitrobenzoate 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. | M179451-5g |
Methyl 2-iodo-5-nitrobenzoate |
112239-00-6 | 98% | 5g |
¥1128.90 | 2023-09-01 | |
| Alichem | A019095852-10g |
Methyl 2-iodo-5-nitrobenzoate |
112239-00-6 | 95% | 10g |
$708.40 | 2023-09-04 | |
| Alichem | A019095852-25g |
Methyl 2-iodo-5-nitrobenzoate |
112239-00-6 | 95% | 25g |
$1143.45 | 2023-09-04 | |
| Alichem | A019095852-100g |
Methyl 2-iodo-5-nitrobenzoate |
112239-00-6 | 95% | 100g |
$2199.78 | 2023-09-04 | |
| Chemenu | CM159217-5g |
Methyl 2-iodo-5-nitrobenzoate |
112239-00-6 | 95% | 5g |
$317 | 2021-06-16 | |
| Chemenu | CM159217-10g |
Methyl 2-iodo-5-nitrobenzoate |
112239-00-6 | 95% | 10g |
$511 | 2021-06-16 | |
| Chemenu | CM159217-25g |
Methyl 2-iodo-5-nitrobenzoate |
112239-00-6 | 95% | 25g |
$866 | 2021-06-16 | |
| Chemenu | CM159217-100g |
Methyl 2-iodo-5-nitrobenzoate |
112239-00-6 | 95% | 100g |
$1772 | 2021-06-16 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X53475-1g |
Methyl 2-iodo-5-nitrobenzoate |
112239-00-6 | 98% | 1g |
¥144.0 | 2024-07-16 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X53475-5g |
Methyl 2-iodo-5-nitrobenzoate |
112239-00-6 | 98% | 5g |
¥500.0 | 2024-07-16 |
Methyl 2-iodo-5-nitrobenzoate Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: 5-Methyl-1,3-dinitro-1H-pyrazole Catalysts: Indium triflate Solvents: 1,1,1,3,3,3-Hexafluoro-2-propanol ; 16 h, rt → 80 °C
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Nitric acid Catalysts: Sulfuric acid Solvents: Water ; 10 min, 0 °C; 15 min, 0 °C; 0 °C → 23 °C; 30 min, 23 °C; 23 °C → 130 °C; 1 h, 130 °C; 130 °C → rt
1.2 Reagents: Potassium iodide Catalysts: Sulfuric acid Solvents: Water ; rt; 1 h, 100 °C
1.3 Catalysts: Sulfuric acid Solvents: Water ; overnight, reflux; reflux → rt
1.4 Reagents: Sodium bicarbonate Solvents: Water ; pH 3; pH 5
1.2 Reagents: Potassium iodide Catalysts: Sulfuric acid Solvents: Water ; rt; 1 h, 100 °C
1.3 Catalysts: Sulfuric acid Solvents: Water ; overnight, reflux; reflux → rt
1.4 Reagents: Sodium bicarbonate Solvents: Water ; pH 3; pH 5
Reference
- A photoredox-neutral Smiles rearrangement of 2-aryloxybenzoic acidsGonzalez-Gomez, Jose. C.; Ramirez, Nieves P.; Lana-Villarreal, Teresa; Bonete, Pedro, Organic & Biomolecular Chemistry, 2017, 15(45), 9680-9684
Methyl 2-iodo-5-nitrobenzoate Raw materials
Methyl 2-iodo-5-nitrobenzoate Preparation Products
Methyl 2-iodo-5-nitrobenzoate Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
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
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
112239-00-6 (Methyl 2-iodo-5-nitrobenzoate) Related Products
- 89976-27-2(methyl 4-iodo-3-nitro-benzoate)
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- 5471-78-3( )
- 835916-53-5(Benzoic acid, 2-iodo-5-nitro-, ethyl ester)
- 19230-50-3(2-Iodo-5-nitrobenzoic acid)
- 50765-19-0(3-Iodo-5-nitro-methylbenzoate)
- 21323-99-9(3-iodo-4-methyl-5-nitromethyl benzoate)
- 89459-38-1(2-Iodo-4-nitrobenzoic acid)
- 6326-42-7(2-Iodo-4-nitro-benzoic Acid Methyl Ester)
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