- Synthesis and chiroptical properties of bridged 2,2'-diaminobiphenyl derivativesSeno, Kaoru; Hagishita, Sanji; Sato, Tomohiro; Kuriyama, Kaoru, Journal of the Chemical Society, 1984, (9), 2013-22
Cas no 93415-79-3 (Methyl 2-iodo-3-nitrobenzoate)
Methyl 2-iodo-3-nitrobenzoate structure
Product Name:Methyl 2-iodo-3-nitrobenzoate
CAS No:93415-79-3
MF:C8H6INO4
MW:307.042014598846
MDL:MFCD00114906
CID:815021
PubChem ID:264093
Update Time:2024-10-26
Methyl 2-iodo-3-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-iodo-3-nitro-, methyl ester
- 2-IODO-3-NITROBENZOIC ACID METHYL ESTER
- Methyl 2-iodo-3-nitrobenzoate
- 2-iodo-3-nitro-benzoic acid methyl ester
- 2-Jod-3-nitro-benzoesaeure-methylester
- methyl 3-nitro-2-iodobenzoate
- Benzoic acid, 2-iodo-3-nitro-, methyl ester
- NSC98959
- METHYL2-IODO-3-NITROBENZOATE
- PubChem22604
- CMCWXWQXFLAUFM-UHFFFAOYSA-N
- methyl 2-iodanyl-3-nitro-benzoate
- TRA0044479
- OR22137
- FCH1322034
- SY019930
- NSC 98959
- SCHEMBL431500
- CS-0105549
- MFCD00114906
- AS-31133
- DTXSID40294961
- DB-023156
- 93415-79-3
- NSC-98959
- AC-23869
- AKOS015955205
-
- MDL: MFCD00114906
- Inchi: 1S/C8H6INO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3
- InChI Key: CMCWXWQXFLAUFM-UHFFFAOYSA-N
- SMILES: O=C(C1C(I)=C([N+](=O)[O-])C=CC=1)OC
Computed Properties
- Exact Mass: 306.93400
- Monoisotopic Mass: 306.93416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- 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
- Topological Polar Surface Area: 72.1
- XLogP3: 2.3
Experimental Properties
- PSA: 72.12000
- LogP: 2.50920
Methyl 2-iodo-3-nitrobenzoate 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%
Methyl 2-iodo-3-nitrobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 066791-5g |
Methyl 2-Iodo-3-nitrobenzoate |
93415-79-3 | 97% | 5g |
£296.00 | 2022-03-01 | |
| Fluorochem | 066791-25g |
Methyl 2-Iodo-3-nitrobenzoate |
93415-79-3 | 97% | 25g |
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$309 | 2021-06-16 | |
| Chemenu | CM324383-25g |
Methyl 2-Iodo-3-nitrobenzoate |
93415-79-3 | 95% | 25g |
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| Fluorochem | 066791-1g |
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| Alichem | A013033606-250mg |
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$504.00 | 2023-08-31 | |
| Alichem | A013033606-500mg |
Methyl 2-iodo-3-nitrobenzoate |
93415-79-3 | 97% | 500mg |
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| Alichem | A013033606-1g |
Methyl 2-iodo-3-nitrobenzoate |
93415-79-3 | 97% | 1g |
$1475.10 | 2023-08-31 | |
| Apollo Scientific | OR22137-5g |
Methyl 2-iodo-3-nitrobenzoate |
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£90.00 | 2025-02-19 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KM617-1g |
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Methyl 2-iodo-3-nitrobenzoate Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Sulfuric acid
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ; 20 h, reflux
Reference
- Preparation of 3,4-dihydropyrrolo[4,3,2-de]isoquinolin-5(1H)-ones and analogs as poly(ADP-ribose) polymerase inhibitors, World Intellectual Property Organization, , ,
Production Method 3
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
- 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
Production Method 4
Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ; 12 h, reflux
Reference
- Preparation of bicyclic compounds as melatonin receptor agonists for treatment and prevention of sleep disorders, World Intellectual Property Organization, , ,
Production Method 5
Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ; 48 h, reflux
Reference
- 5-Nitroisocoumarins from tandem Castro-Stephens coupling-6-endo-dig cyclisation of 2-iodo-3-nitrobenzoic acid and arylethynes and ring-closure of methyl 2-alkynyl-3-nitrobenzoates with electrophilesWoon, Esther C. Y.; Dhami, Archana; Mahon, Mary F.; Threadgill, Michael D., Tetrahedron, 2006, 62(20), 4829-4837
Production Method 6
Reaction Conditions
1.1 Reagents: Sodium hydroxide , Mercuric acetate Solvents: Water
1.2 Reagents: Sodium hydroxide , Iodine Solvents: Water
1.3 Reagents: Hydrochloric acid Solvents: Methanol
1.2 Reagents: Sodium hydroxide , Iodine Solvents: Water
1.3 Reagents: Hydrochloric acid Solvents: Methanol
Reference
- A new synthesis of 'push-pull' naphthalenes by condensation of nitro-2-methylbenzoate esters with dimethylacetamide dimethyl acetalWong, See-Mun; Shah, Bhavini; Shah, Priyal; Butt, Ian C.; Woon, Esther C. Y.; et al, Tetrahedron Letters, 2002, 43(12), 2299-2302
Production Method 7
Reaction Conditions
Reference
- 5-Nitroisocoumarins from tandem Castro-Stephens coupling-6-endo-dig cyclisation of 2-iodo-3-nitrobenzoic acid and arylethynes and ring-closure of methyl 2-alkynyl-3-nitrobenzoates with electrophiles. [Erratum to document cited in CA145:103504]Woon, Esther C. Y.; Dhami, Archana; Mahon, Mary F.; Threadgill, Michael D., Tetrahedron, 2007, 63(19),
Production Method 8
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-3-nitrobenzoate Raw materials
Methyl 2-iodo-3-nitrobenzoate Preparation Products
Methyl 2-iodo-3-nitrobenzoate Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
93415-79-3 (Methyl 2-iodo-3-nitrobenzoate) Related Products
- 89976-27-2(methyl 4-iodo-3-nitro-benzoate)
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- 57362-77-3(Ethyl 4-iodo-3-nitrobenzoate)
- 112239-00-6(Methyl 2-iodo-5-nitrobenzoate)
- 479526-11-9(2-Iodo-benzoic acid 4-nitro-benzyl ester)
- 835916-53-5(Benzoic acid, 2-iodo-5-nitro-, ethyl ester)
- 19230-50-3(2-Iodo-5-nitrobenzoic acid)
- 499157-32-3(Benzoic acid, 4-iodo-3-nitro-, 1,1-dimethylethyl ester)
- 479215-18-4(2-Iodo-benzoic acid 3-nitro-benzyl ester)
- 6326-42-7(2-Iodo-4-nitro-benzoic Acid Methyl Ester)
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