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CAS No.: | 36840-85-4 |
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Name: | 1,5-Pentanediol diacrylate |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C11H16O4 |
Molecular Weight: | 212.246 |
Synonyms: | 2-Propenoicacid, 1,5-pentanediyl ester (9CI);1,5-Pentamethylene diacrylate;Pentamethylene diacrylate;CCRIS 7043;AC1L3PPD;AC1Q67HL;KST-1B3820;CID93195; |
EINECS: | 253-235-8 |
Density: | 1.024 g/cm3 |
Boiling Point: | 285.1 °C at 760 mmHg |
Flash Point: | 134.4 °C |
PSA: | 52.60000 |
LogP: | 1.61510 |
Conditions | Yield |
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With triethylamine In toluene | 75% |
Conditions | Yield |
---|---|
With triethylamine; 2-hydroxyresorcinol In benzene at 50℃; for 0.5h; | 61% |
With triethylamine In dichloromethane at 0 - 20℃; for 6h; Inert atmosphere; | |
With triethylamine In dichloromethane at 20℃; Cooling with ice; |
pentane-1,5-diyl bis(3-bromopropionate)
pentamethylene 1,5-diacrylate
Conditions | Yield |
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With triethylamine; hydroquinone In benzene Heating; |
Conditions | Yield |
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In phosphate buffer at 37℃; pH=7.4; Kinetics; Further Variations:; pH-values; Elimination; Hofmann; |
1 ,5-pentanediol
pentamethylene 1,5-diacrylate
Conditions | Yield |
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Multi-step reaction with 2 steps 2: Et3N, benzene-1,4-diol / benzene / Heating View Scheme |
1 ,5-pentanediol
acrylic acid methyl ester
A
pentamethylene 1,5-diacrylate
B
hydroxypentyl acrylate
Conditions | Yield |
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With Novozyme 435 In tert-Amyl alcohol at 50℃; for 120h; Inert atmosphere; Molecular sieve; Enzymatic reaction; |
Conditions | Yield |
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toluene-4-sulfonic acid at 90 - 100℃; Inert atmosphere; |
pentamethylene 1,5-diacrylate
oxalic acid
Conditions | Yield |
---|---|
Stage #1: pentamethylene 1,5-diacrylate; (R)-tetrahydropapaverine N-acetyl-L-leucine salt With acetic acid; sodium hydroxide In water; toluene at 55 - 70℃; for 4h; pH=10; Stage #2: oxalic acid In acetone | 85.1% |
pentamethylene 1,5-diacrylate
Ethyl nipecotate
N,N-4,10-dioxa-3,11-dioxotridecylene-1,13-diyl-bis(3-ethoxycarbonylpiperidine)
Conditions | Yield |
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With acetic acid at 70℃; for 16.5h; | 84% |
Conditions | Yield |
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Stage #1: (-) N-norlaudanosine With sodium hydroxide In water; toluene at 55℃; pH=10; Stage #2: pentamethylene 1,5-diacrylate With acetic acid In water; toluene at 70℃; for 4h; Stage #3: oxalic acid In acetone | 80.4% |
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The 1,5-Pentanediol diacrylate with CAS registry number of 36840-85-4 is also known as Pentamethylene diacrylate. The IUPAC name is 5-Prop-2-enoyloxypentyl prop-2-enoate. It belongs to product categories of Monomer. Its EINECS registry number is 253-235-8. In addition, the formula is C11H16O4 and the molecular weight is 212.24.
Physical properties about 1,5-Pentanediol diacrylate are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.04; (6)ACD/BCF (pH 7.4): 41.04; (7)ACD/KOC (pH 5.5): 496.97; (8)ACD/KOC (pH 7.4): 496.97; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 56.01 cm3; (14)Molar Volume: 207.2 cm3; (15)Surface Tension: 33.1 dyne/cm; (16)Density: 1.024 g/cm3; (17)Flash Point: 134.4 °C; (18)Enthalpy of Vaporization: 52.42 kJ/mol; (19)Boiling Point: 285.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00285 mmHg at 25 °C.
Preparation of 1,5-Pentanediol diacrylate: it is prepared by reaction of acryloyl chloride with pentane-1,5-diol. The reaction needs reagent triethylamine, pyrogallol and solvent benzene at the temperature of 50 °C for 30 minutes. The yield is about 61%.
Uses of 1,5-Pentanediol diacrylate: it is used to produce 3-piperidin-1-yl-propionic acid 5-(3-piperidin-1-yl-propionyloxy)-pentyl ester by reaction with piperidine. The reaction occurs with reagent glacial acetic acid at 70 °C for 16.5 hours. The yield is about 79%.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C=CC(=O)OCCCCCOC(=O)C=C
2. InChI: InChI=1S/C11H16O4/c1-3-10(12)14-8-6-5-7-9-15-11(13)4-2/h3-4H,1-2,5-9H2
3. InChIKey: XAMCLRBWHRRBCN-UHFFFAOYSA-N