DIMETHYL 5-IODOISOPHTHALATE
- Product Name
- DIMETHYL 5-IODOISOPHTHALATE
- CAS No.
- 51839-15-7
- Chemical Name
- DIMETHYL 5-IODOISOPHTHALATE
- Synonyms
- Dimethyl 5-iodosophthalate;DIMETHYL 5-IODOISOPHTHALATE;5-Iodo-isophthalic acid diMethyl ester;Dimethyl-5-iodobenzene-1,3-dicarboxylate;1,3-diMethyl 5-iodobenzene-1,3-dicarboxylate;1,3-Benzenedicarboxylic acid, 5-iodo-, 1,3-dimethyl ester;DiMethyl 5-iodobenzene-1,3-dioate[DiMethyl 5-iodoisophthalate
- CBNumber
- CB3238468
- Molecular Formula
- C10H9IO4
- Formula Weight
- 320.08
- MOL File
- 51839-15-7.mol
DIMETHYL 5-IODOISOPHTHALATE Property
- Melting point:
- 105 °C
- Boiling point:
- 160°C 1mm
- Density
- 1.708±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- Pale Beige
- InChI
- InChI=1S/C10H9IO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3
- InChIKey
- DIAONVDUSXRXCE-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)=CC(I)=CC(C(OC)=O)=C1
- CAS DataBase Reference
- 51839-15-7(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 20/21/22-36/37/38
- Safety Statements
- 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 29163990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- D474180
- Product name
- Dimethyl5-Iodoisophthalate
- Packaging
- 25g
- Price
- $250
- Updated
- 2021/12/16
- Product number
- 447167
- Product name
- Dimethyl 5-Iodoisophthalate
- Packaging
- 100mg
- Price
- $319
- Updated
- 2021/12/16
- Product number
- C244
- Product name
- Dimethyl5-iodoisophthalate
- Packaging
- 1g
- Price
- $12
- Updated
- 2021/12/16
- Product number
- 002705
- Product name
- Dimethyl 5-iodoisophthalate
- Purity
- 98%
- Packaging
- 1g
- Price
- $14
- Updated
- 2021/12/16
- Product number
- 018627
- Product name
- Dimethyl 5-iodoisophthalate
- Packaging
- 1g
- Price
- $18
- Updated
- 2021/12/16
DIMETHYL 5-IODOISOPHTHALATE Chemical Properties,Usage,Production
Uses
Dimethyl 5-Iodoisophthalate is used for succinimidyl 3-iodobenzoate (SIB) with DOTA as prosthetic group for multi-modal labeling enhancing tumor uptake of radiolabelled monoclonal antibodies (mAbs).
Synthesis
99-27-4
51839-15-7
Under argon protection, dimethyl 5-aminoisophthalate (1) (6.27 g, 30.0 mmol) was added to 39 mL of 2 M hydrochloric acid pre-cooled in an ice bath. The reaction mixture was stirred at 0 °C or lower for several minutes before 21.6 mL of pre-cooled aqueous sodium nitrite (2.52 g, 36.5 mmol, 1.2 eq.) was added slowly and dropwise. Subsequently, 30 mL of dichloromethane was added and stirring was continued for 5 hours after the reaction mixture was brought to room temperature. Upon completion of the reaction, 70 mL of aqueous potassium iodide (7.47 g, 45.0 mmol, 1.5 eq.) was added slowly and dropwise under ice bath cooling conditions and the mixture was stirred at room temperature for 12 hours. At the end of the reaction, the aqueous layer was extracted with ethyl acetate, the organic layer was washed with saturated brine, dried with anhydrous magnesium sulfate, and purified by silica gel column chromatography (silica gel, hexanes as eluent) to afford the target product dimethyl 5-iodoisophthalate (2) (5.285 g, 16.5 mmol, 55% yield). The product was characterized as follows: 1H-NMR (400 MHz, CDCl3) δ: 8.62 (t, 1H, J = 1.4 Hz), 8.53 (s, 2H, J = 1.4 Hz), 3.94 (s, 6H); 13C-NMR (100 MHz, CDCl3) δ: 165.2 (2C), 142.9 (2C), 132.6 ( 2C), 130.2, 93.8, 53.1 (2C); MS (EI) m/z: 320 (M+); HRMS (EI) calculated for C10H9IO4: 319.9546, found: 319.9553; Elemental analysis calculated for C10H9O4: C, 37.52; H, 2.83; found: C, 37.44; H, 2.86.
References
[1] Inorganic Chemistry, 2015, vol. 54, # 9, p. 4377 - 4381
[2] Journal of the American Chemical Society, 2012, vol. 134, # 49, p. 20110 - 20116
[3] Organic and Biomolecular Chemistry, 2011, vol. 9, # 18, p. 6284 - 6292
[4] Chemical Communications, 2011, vol. 47, # 9, p. 2691 - 2693
[5] Patent: US2018/94017, 2018, A1. Location in patent: Paragraph 0061; 0064; 0065
DIMETHYL 5-IODOISOPHTHALATE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from DIMETHYL 5-IODOISOPHTHALATE manufacturers
- Product
- DIMETHYL 5-IODOISOPHTHALATE 51839-15-7
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2024-11-08
- Product
- DIMETHYL 5-IODOISOPHTHALATE 51839-15-7
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2019-07-11