4-isopropylresorcinol
Uses- Product Name
- 4-isopropylresorcinol
- CAS No.
- 23504-03-2
- Chemical Name
- 4-isopropylresorcinol
- Synonyms
- 4-Isopropylbenzene-1,3-diol;Einecs 245-703-5;4-isopropylresorcinol;4-Isopropyl-1,3-benzenediol;4-propan-2-ylbenzene-1,3-diol;4-(1-Methylethyl)-1,3-benzenediol;1,3-Benzenediol, 4-(1-Methylethyl)-;4-Isopropylresorcinol, 1,3-Dihydroxy-4-(prop-2-yl)benzene
- CBNumber
- CB5898631
- Molecular Formula
- C9H12O2
- Formula Weight
- 152.19
- MOL File
- 23504-03-2.mol
4-isopropylresorcinol Property
- Melting point:
- 105 °C
- Boiling point:
- 114 °C(Press: 0.2 Torr)
- Density
- 1.116±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- pka
- 10.03±0.18(Predicted)
- form
- solid
- color
- Off-white
- InChI
- InChI=1S/C9H12O2/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6,10-11H,1-2H3
- InChIKey
- LNFVQIGQENWZQN-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C(C)C)C(O)=C1
Safety
- HazardClass
- IRRITANT
- HS Code
- 2907290090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
H314Causes severe skin burns and eye damage
H317May cause an allergic skin reaction
H412Harmful to aquatic life with long lasting effects
- Precautionary statements
-
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P309+P311IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
N-Bromosuccinimide Price
- Product number
- I822805
- Product name
- 4-Isopropylbenzene-1,3-diol
- Packaging
- 1g
- Price
- $50
- Updated
- 2021/12/16
- Product number
- J53278
- Product name
- 4-Isopropylbenzene-1,3-diol
- Packaging
- 1g
- Price
- $30
- Updated
- 2021/12/16
- Product number
- OR70132
- Product name
- 4-Isopropylbenzene-1,3-diol
- Packaging
- 1g
- Price
- $70
- Updated
- 2021/12/16
- Product number
- 2704-1-21
- Product name
- 4-Isopropylbenzene-1,3-diol
- Packaging
- 1g
- Price
- $77
- Updated
- 2021/12/16
- Product number
- OR70132
- Product name
- 4-Isopropylbenzene-1,3-diol
- Packaging
- 5g
- Price
- $195
- Updated
- 2021/12/16
4-isopropylresorcinol Chemical Properties,Usage,Production
Uses
4-Isopropylbenzene-1,3-diol acts as a reagent in the synthesis of 3,5-disubstituted-4-alkynylisoxozales as HSP90 inhibitors against various human cancer cell lines.
Uses
4-Isopropylbenzene-1,3-diol acts as a reagent in the synthesis of 3,5-disubstituted-4-alkynylisoxozales as HSP90 inhibitors against various human cancer cell lines.
Synthesis
747414-16-0
23504-03-2
The general procedure for the synthesis of 4-isopropylresorcinol from (((4-(1-propen-2-yl)-1,3-phenylene)bis(oxy))bis(methylene))bis(benzene))diphenyl was as follows: a mixture of compound 17 (3 g, 9.08 mmol) with 10% Pd/C (30 wt%) in ethanol (48 mL) was placed in a hydrogen atmosphere and stirred for 18 hours at room temperature. Upon completion of the reaction, the solid catalyst was removed by filtration through a diatomaceous earth pad and the filter cake was washed with methanol. The filtrate was concentrated under reduced pressure and the resulting crude product was purified by silica gel fast column chromatography (eluent ratio: ethyl acetate:hexane=1:1) to afford compound 18 as a white crystalline solid (1.35 g, 98% yield). The physical and spectral data of the compound were consistent with those reported in the literature: melting point 87~89 °C. 1H NMR (400 MHz, DMSO-d6) δ 9.02 (s, 1H), 8.90 (s, 1H), 6.85 (d, J=8.2 Hz, 1H), 6.26 (d, J=2.7 Hz, 1H), 6.16 (dd, J=8.2,2.3 Hz , 1H), 3.16-2.98 (m, 1H), 1.18-1.04 (s, 6H); 13C NMR (100 MHz, DMSO-d6) δ 155.59,154.78,125.87,124.56,105.67,102.11,25.52,22.64. ESI-MS: m/z = 170 (M +H2O)+.
References
[1] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 23-24, p. 3658 - 3664
[2] Patent: US2009/76006, 2009, A1. Location in patent: Page/Page column 32; 41
[3] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 16, p. 3129 - 3134
[4] European Journal of Medicinal Chemistry, 2014, vol. 87, p. 765 - 781
[5] Patent: CN103724269, 2016, B. Location in patent: Paragraph 0388; 0389; 0399; 0400; 0401; 0402
4-isopropylresorcinol Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-isopropylresorcinol manufacturers
- Product
- 4-isopropylresorcinol 23504-03-2
- Price
- US $30.00-10.00/KG
- Min. Order
- 50KG
- Purity
- 99%
- Supply Ability
- 500000kg
- Release date
- 2022-09-21
- Product
- 4-isopropylresorcinol 23504-03-2
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 0.99
- Supply Ability
- 20 tons
- Release date
- 2023-11-22
- Product
- 4-isopropylresorcinol 23504-03-2
- Price
- US $6.68/KG
- Min. Order
- 1KG
- Purity
- 97%-99%
- Supply Ability
- 1kg-1000kg
- Release date
- 2020-01-08