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CAS No.: | 3690-05-9 |
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Name: | p-Coumaryl alcohol |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C9H10O2 |
Molecular Weight: | 150.177 |
Synonyms: | 2-Propen-1-ol,3-(p-hydroxyphenyl)- (6CI,7CI,8CI);Phenol, 4-(3-hydroxy-1-propenyl)- (9CI);3-(p-Hydroxyphenyl)-2-propen-1-ol;4-Hydroxycinnamic alcohol;4-Hydroxycinnamylalcohol;p-Coumaric alcohol;p-Coumaryl alcohol;p-Cumaric alcohol;p-Hydroxycinnamic alcohol;p-Hydroxycinnamyl alcohol;Phenol,4-(3-hydroxy-1-propen-1-yl)-; |
Density: | 1.188g/cm3 |
Melting Point: | 124 °C |
Boiling Point: | 323.5°Cat760mmHg |
Flash Point: | 162.7°C |
PSA: | 40.46000 |
LogP: | 1.39770 |
Conditions | Yield |
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With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 6h; | 96% |
1-hydroxy-3-(4-acetoxyphenyl)-2-propen
4-hydroxycinnamic alcohol
Conditions | Yield |
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With β‐cyclodextrin In water; acetone at 60℃; for 6h; Green chemistry; | 95% |
4-hydroxycinnamic alcohol
Conditions | Yield |
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With β‐cyclodextrin In water; acetone at 60℃; for 6h; Green chemistry; | 93% |
methyl p-hydroxycinnamate
4-hydroxycinnamic alcohol
Conditions | Yield |
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With aluminum (III) chloride; lithium aluminium tetrahydride In diethyl ether at 0℃; for 1.5h; | 90% |
With aluminum (III) chloride; lithium aluminium tetrahydride In diethyl ether at 0 - 20℃; for 0.5h; Inert atmosphere; | 62% |
4-hydroxycinnamic alcohol
Conditions | Yield |
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With β‐cyclodextrin In water; acetone at 60℃; for 6h; Green chemistry; | 87% |
Conditions | Yield |
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With sodium acetate; palladium diacetate In methanol at 0℃; for 6h; Heck Reaction; | A 72% B 11% |
4-hydroxycinnamic alcohol
Conditions | Yield |
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With β‐cyclodextrin In water; acetone at 60℃; for 5h; Green chemistry; | 59% |
ethyl 3-(4-hydroxyphenyl)prop-2-enoate
4-hydroxycinnamic alcohol
Conditions | Yield |
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With lithium aluminium tetrahydride In diethyl ether at 0℃; for 18h; Reduction; | |
With diisobutylaluminium hydride In toluene at -78 - 25℃; for 3.75h; Inert atmosphere; |
p-hydroxy-cinnamaldehyde
4-hydroxycinnamic alcohol
Conditions | Yield |
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With β-nicotinamide adenine dinucleotide 2’-phosphate reduced tetrasodium salt; Arabidopsis thaliana cinnamyl alcohol dehydrogenase 5 at 30℃; Kinetics; Enzymatic reaction; | |
Stage #1: p-hydroxy-cinnamaldehyde With 1,4-dithio-L-threitol; NADPH at 30℃; for 0.5h; Enzymatic reaction; Stage #2: With acetic acid In methanol pH=7.5; Kinetics; |
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: tetrafluoroboric acid / isopropyl alcohol / 3 h / 90 °C 1.2: 0 °C 2.1: sodium acetate; palladium diacetate / methanol / 6 h / 0 °C View Scheme |
Molecular Structure of 3-(4-Hydroxyphenyl)-1-propane (CAS NO.3690-05-9):
IUPAC Name: 4-[(E)-3-Hydroxyprop-1-enyl]phenol
Canonical SMILES: C1=CC(=CC=C1C=CCO)O
Isomeric SMILES: C1=CC(=CC=C1/C=C/CO)O
InChI: InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+
InChIKey: PTNLHDGQWUGONS-OWOJBTEDSA-N
Molecular Weight: 150.1745 [g/mol]
Molecular Formula: C9H10O2
XLogP3-AA: 1.3
H-Bond Donor: 2
H-Bond Acceptor: 2
Index of Refraction: 1.64
Molar Refractivity: 45.55 cm3
Molar Volume: 126.3 cm3
Surface Tension: 53.6 dyne/cm
Density: 1.188 g/cm3
Flash Point: 162.7 °C
Enthalpy of Vaporization: 59.69 kJ/mol
Boiling Point: 323.5 °C at 760 mmHg
Vapour Pressure: 0.000107 mmHg at 25 °C
3-(4-Hydroxyphenyl)-1-propane (CAS NO.3690-05-9), its Synonyms are Phenol, 4-(3-hydroxy-1-propenyl)- ; 2-Propen-1-ol,3-(p-hydroxyphenyl)- (6CI,7CI,8CI) ; Phenol, 4-(3-hydroxy-1-propenyl)- (9CI) ; 3-(p-Hydroxyphenyl)-2-propen-1-ol ; 4-Hydroxycinnamic alcohol ; p-Coumaric alcohol; p-Coumaryl alcohol ; p-Hydroxycinnamic alcohol ; p-Hydroxycinnamyl alcohol .