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3-heptyn-1-ol
1-hydroxy-6-heptyne
Conditions | Yield |
---|---|
With sodium hydride; Trimethylenediamine at 20℃; for 0.666667h; Isomerization; | 100% |
With potassium tert-butylate; sodium hydride; Trimethylenediamine In mineral oil at 20 - 70℃; for 3h; | 99% |
With potassium tert-butylate; lithium; Trimethylenediamine at 20℃; for 2h; | 97% |
hept-6-ynoic acid
1-hydroxy-6-heptyne
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride | 100% |
Stage #1: hept-6-ynoic acid With lithium aluminium tetrahydride In diethyl ether at 0 - 20℃; Stage #2: With hydrogenchloride In diethyl ether for 0.5h; | 89% |
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 3h; Inert atmosphere; | 82% |
hep-2-yn-1-ol
1-hydroxy-6-heptyne
Conditions | Yield |
---|---|
With potassium hydride; 1,2-diaminopropan In tetrahydrofuran; mineral oil at 20℃; for 24h; Inert atmosphere; | 99% |
With potassium salt of 1,3-diaminopropane In tetrahydrofuran at 0℃; for 0.5h; | 97% |
With potassium tert-butylate; lithium; Trimethylenediamine at 20℃; for 3h; Inert atmosphere; | 90% |
tetrahydro-2-(6-heptynyloxy)-2H-pyran
1-hydroxy-6-heptyne
Conditions | Yield |
---|---|
With acid | 98% |
1-hydroxy-6-heptyne
Conditions | Yield |
---|---|
With water; sodium hydroxide In methanol | 95% |
methyl hept-6-ynoate
1-hydroxy-6-heptyne
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 1.5h; Heating; | 91% |
With lithium aluminium tetrahydride In diethyl ether at 0℃; for 2h; Yield given; | |
With methanol; sodium tetrahydroborate In tetrahydrofuran for 3.25h; Reflux; | 2.15 g |
7-(trimethylsilyl)hept-6-yn-1-yl acetate
1-hydroxy-6-heptyne
Conditions | Yield |
---|---|
With water; potassium carbonate In methanol at 20℃; for 5h; | 82% |
hept-5-yn-1-ol
1-hydroxy-6-heptyne
Conditions | Yield |
---|---|
With sodium amide; Trimethylenediamine In ammonia | 79% |
1-hydroxy-6-heptyne
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.333333h; Dehydrobromination; | 70% |
1-hydroxy-6-heptyne
Conditions | Yield |
---|---|
With lithium triethylborohydride In tetrahydrofuran at -78 - 20℃; | 63% |
The 6-Heptyn-1-ol with CAS registry number of 63478-76-2 is also known as 7-Hydroxyhept-1-yne. The IUPAC name is Hept-6-yn-1-ol. In addition, the formula is C7H12O and the molecular weight is 112.17. As this chemical is flammable, keep away from sources of ignition when using it.
Physical properties about 6-Heptyn-1-ol are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.16; (6)ACD/BCF (pH 7.4): 4.16; (7)ACD/KOC (pH 5.5): 96.59; (8)ACD/KOC (pH 7.4): 96.59; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 33.84 cm3; (14)Molar Volume: 125.3 cm3; (15)Surface Tension: 35.6 dyne/cm; (16)Density: 0.894 g/cm3; (17)Flash Point: 92.8 °C; (18)Enthalpy of Vaporization: 47.81 kJ/mol; (19)Boiling Point: 174.3 °C at 760 mmHg; (20)Vapour Pressure: 0.378 mmHg at 25 °C.
Preparation of 6-Heptyn-1-ol: it is prepared by reaction of 2-hept-6-ynyloxy-tetrahydro-pyran. The reaction needs reagent acid and the yield is about 98%.
Uses of 6-Heptyn-1-ol: it is used to produce Preparation of 6-Heptyn-1-ol by reaction with 3,4-dihydro-2H-pyran. The reaction occurs with reagent PPTS and solvent CH2Cl2 at the temperature of 20 °C for 12 hours. The yield is about 95%.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C#CCCCCCO
2. InChI: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h1,8H,3-7H2
3. InChIKey: BVRCLEXKQNWTDK-UHFFFAOYSA-N