Dimethyl 5-hydroxyisophthalate
- Product Name
- Dimethyl 5-hydroxyisophthalate
- CAS No.
- 13036-02-7
- Chemical Name
- Dimethyl 5-hydroxyisophthalate
- Synonyms
- TIMTEC-BB SBB000491;5-hydroxyMethylphosphate;Dimethyl 5-hydroxyisophtalate;DIMETHYL 5-HYDROXYISOPHTHALATE;5-HYDROXY-DIMETHYLISOPHTHALATE;Dimethyl5-Hydroxyisophthalate>5-HYDROXYISOPHTHALIC ACID DIMETHYL;Dimethyl 5-hydroxyisophthalate,99%;DiMethyl 5-hydroxyisophthalate 98%;Dimethyle5-hydroxyisophthalate, 99%
- CBNumber
- CB6159519
- Molecular Formula
- C10H10O5
- Formula Weight
- 210.18
- MOL File
- 13036-02-7.mol
Dimethyl 5-hydroxyisophthalate Property
- Melting point:
- 162-164 °C (lit.)
- Boiling point:
- 360.6±22.0 °C(Predicted)
- Density
- 1.284±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Powder and/or Lumps
- pka
- 8.33±0.10(Predicted)
- color
- White to light beige
- Water Solubility
- Soluble in water.
- BRN
- 2650120
- InChI
- InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3
- InChIKey
- DOSDTCPDBPRFHQ-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)=CC(O)=CC(C(OC)=O)=C1
- LogP
- 2.570 (est)
- CAS DataBase Reference
- 13036-02-7(CAS DataBase Reference)
- EPA Substance Registry System
- Dimethyl 5-hydroxyisophthalate (13036-02-7)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36-37/39
- WGK Germany
- 3
- TSCA
- Yes
- HS Code
- 29182900
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.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
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
- 371785
- Product name
- Dimethyl 5-hydroxyisophthalate
- Purity
- 98%
- Packaging
- 10g
- Price
- $42.1
- Updated
- 2025/07/31
- Product number
- 371785
- Product name
- Dimethyl 5-hydroxyisophthalate
- Purity
- 98%
- Packaging
- 50g
- Price
- $135
- Updated
- 2025/07/31
- Product number
- H1007
- Product name
- Dimethyl 5-Hydroxyisophthalate
- Purity
- >98.0%(GC)(T)
- Packaging
- 25g
- Price
- $60
- Updated
- 2025/07/31
- Product number
- H1007
- Product name
- Dimethyl 5-Hydroxyisophthalate
- Purity
- >98.0%(GC)(T)
- Packaging
- 250g
- Price
- $334
- Updated
- 2025/07/31
- Product number
- D473615
- Product name
- Dimethyl 5-hydroxyisophthalate
- Packaging
- 5g
- Price
- $45
- Updated
- 2021/12/16
Dimethyl 5-hydroxyisophthalate Chemical Properties,Usage,Production
Chemical Properties
off-white crystal powder
Uses
Dimethyl 5-Hydroxyisophthalate is a useful synthetic intermediate in the synthesis of N,N?-Bis(2,3-dihydroxypropyl)-5-[(N-(2-hydroxyethyl)carbamoyl)methoxy]-2,4,6-triiodoisophthalamide (B426310); a compound related to Ioversol( I737000) which is a nonionic, low osmolality, radiographic contrast agent.
General Description
Dimethyl 5-hydroxyisophthalate undergoes a base-catalyzed nucleophilic oxirane ring-opening addition reaction with allyl glycidyl ether, to afford 5-substituted derivatives of isophthalic acid. Influence of third component, i.e. a series of 1,ω-alkanediols on the copolymerization reaction of dimethyl 5-hydroxyisophthalate with poly(ethylene glycol) has been studied. Lipase-catalyzed condensation polymerization of dimethyl 5-hydroxyisophthalate with polyethylene glycol is reported.
Synthesis
67-56-1
618-83-7
13036-02-7
To a 1 L round-bottomed flask equipped with a magnetic stirrer was added 187.8 g (1 mol) of 5-hydroxyisophthalic acid (~97% purity, available from Aldrich) and 500 mL (12.3 mol) of methanol. After slowly adding 28 mL of concentrated sulfuric acid, the reaction mixture was heated to reflux temperature and stirred under reflux conditions for 4 hours. Upon completion of the reaction, the hot reaction solution was carefully poured into 500mL of ice water. Subsequently, the white solid product was collected by filtration and washed several times with deionized water until the washings were neutral. The product was dried under vacuum at 60 °C overnight to give 206.8 g of dimethyl 5-hydroxyisophthalate. The product characterization data were as follows: melting point 164-166 °C; GC purity >99%; yield 98.2%; 1H NMR (CDCl3 + DMSO-d6, TMS as internal standard, ppm): 3.68 (s, 6H, OCH3), 7.45 (s, 2H, Ar-H), 7.89 (s, 1H, Ar-H), 9.35 (broad peak, 1H, OH ); 13C NMR (CDCl3 + DMSO-d6, TMS as internal standard, ppm): 51.92 (OCH3), 120.50 (C4, C6), 121.10 (C2), 131.15 (C1, C3), 157.36 (C5), 165.85 (COOR); 1H-13C NMR correlation spectrum (CDCl3 + DMSO-d6, TMS as internal standard, ppm): 51.92 (quadruple peaks, OCH3, 1JCH = 147 Hz), 120.50 (double peaks, C4, C6, 1JCH = 164.4 Hz), 121.10 (double peaks, C2, 1JCH = 168.3 Hz), 131.15 (single peaks, C1, C3), 157.36 (single peaks , C5), 165.85 (single peak, COOR); GC-MS (acetone as solvent): m/z 210 (M+).
References
[1] Tetrahedron Letters, 1996, vol. 37, # 20, p. 3475 - 3478
[2] Tetrahedron, 1997, vol. 53, # 30, p. 10239 - 10252
[3] Organic and Biomolecular Chemistry, 2007, vol. 5, # 2, p. 276 - 285
[4] European Journal of Organic Chemistry, 2015, vol. 2015, # 32, p. 6988 - 6993
[5] Angewandte Chemie, 1996, vol. 108, # 17, p. 2078 - 2081
Dimethyl 5-hydroxyisophthalate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Dimethyl 5-hydroxyisophthalate manufacturers
- Product
- Dimethyl 5-hydroxyisophthalate 13036-02-7
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100KG
- Release date
- 2019-12-31